6G5K
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![BU of 6g5k by Molmil](/molmil-images/mine/6g5k) | Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1 | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-1 | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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2JGA
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![BU of 2jga by Molmil](/molmil-images/mine/2jga) | Crystal structure of human cytosolic 5'-nucleotidase III in complex with phosphate and magnesium | Descriptor: | CYTOSOLIC 5'-NUCLEOTIDASE III, MAGNESIUM ION, PHOSPHATE ION | Authors: | Wallden, K, Stenmark, P, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, M, Holmberg, B, Schiavone, L, Hogbom, M, Kotenyova, T, Magnusdottir, A, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Welin, M, Nordlund, P. | Deposit date: | 2007-02-09 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal Structure of Human Cytosolic 5'-Nucleotidase II: Insights Into Allosteric Regulation and Substrate Recognition. J.Biol.Chem., 282, 2007
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6SQY
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![BU of 6sqy by Molmil](/molmil-images/mine/6sqy) | Mouse dCTPase in complex with dCMP | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1 | Authors: | Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P. | Deposit date: | 2019-09-04 | Release date: | 2020-01-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products. J.Mol.Biol., 432, 2020
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6G40
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![BU of 6g40 by Molmil](/molmil-images/mine/6g40) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH9525 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, N-glycosylase/DNA lyase, ... | Authors: | Masuyer, G, Helleday, T, Stenmark, P. | Deposit date: | 2018-03-26 | Release date: | 2019-04-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1. Chemmedchem, 18, 2023
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6T5J
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![BU of 6t5j by Molmil](/molmil-images/mine/6t5j) | Structure of NUDT15 in complex with inhibitor TH1760 | Descriptor: | 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Carter, M, Rehling, D, Desroses, M, Zhang, S.M, Hagenkort, A, Valerie, N.C.K, Helleday, T, Stenmark, P. | Deposit date: | 2019-10-16 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of a chemical probe against NUDT15. Nat.Chem.Biol., 16, 2020
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6G5F
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![BU of 6g5f by Molmil](/molmil-images/mine/6g5f) | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | Descriptor: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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6G5G
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![BU of 6g5g by Molmil](/molmil-images/mine/6g5g) | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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2J8Q
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![BU of 2j8q by Molmil](/molmil-images/mine/2j8q) | Crystal structure of human cleavage and polyadenylation specificity factor 5 (CPSF5) in complex with a sulphate ion. | Descriptor: | CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR 5, SULFATE ION | Authors: | Moche, M, Stenmark, P, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg, S.L, Hogbom, M, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Welin, M, Nordlund, P. | Deposit date: | 2006-10-27 | Release date: | 2006-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of Human Cleavage and Polyadenylation Specific Factor-5 Reveals a Dimeric Nudix Protein with a Conserved Catalytic Site. Proteins, 73, 2008
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2JAK
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![BU of 2jak by Molmil](/molmil-images/mine/2jak) | Human PP2A regulatory subunit B56g | Descriptor: | SERINE/THREONINE-PROTEIN PHOSPHATASE 2A 56 KDA REGULATORY SUBUNIT GAMMA ISOFORM | Authors: | Magnusdottir, A, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Lundgren, S, Moche, M, Nilsson, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | Deposit date: | 2006-11-29 | Release date: | 2006-12-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structure of the Pp2A Regulatory Subunit B56 Gamma: The Remaining Piece of the Pp2A Jigsaw Puzzle. Proteins, 74, 2009
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2ANI
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![BU of 2ani by Molmil](/molmil-images/mine/2ani) | Crystal structure of the F127Y mutant of Ribonucleotide Reductase R2 from Chlamydia trachomatis | Descriptor: | FE (III) ION, LEAD (II) ION, Ribonucleoside-diphosphate reductase beta subunit | Authors: | Hogbom, M, Stenmark, P, Nordlund, P. | Deposit date: | 2005-08-11 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the high-valent FeIIIFeIV state in ribonucleotide reductase (RNR) of Chlamydia trachomatis--combined EPR, 57Fe-, 1H-ENDOR and X-ray studies. Biochim.Biophys.Acta, 1774, 2007
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7B67
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![BU of 7b67 by Molmil](/molmil-images/mine/7b67) | Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15, ... | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B65
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![BU of 7b65 by Molmil](/molmil-images/mine/7b65) | Structure of NUDT15 R139C Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B63
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![BU of 7b63 by Molmil](/molmil-images/mine/7b63) | Structure of NUDT15 in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B66
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![BU of 7b66 by Molmil](/molmil-images/mine/7b66) | Structure of NUDT15 R139H Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B64
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![BU of 7b64 by Molmil](/molmil-images/mine/7b64) | Structure of NUDT15 V18I Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B7V
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![BU of 7b7v by Molmil](/molmil-images/mine/7b7v) | Structure of NUDT15 in complex with Acyclovir monophosphate | Descriptor: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-11 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | NUDT15 polymorphism influences the metabolism and therapeutic effects of acyclovir and ganciclovir. Nat Commun, 12, 2021
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7AIL
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![BU of 7ail by Molmil](/molmil-images/mine/7ail) | |
7AGJ
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![BU of 7agj by Molmil](/molmil-images/mine/7agj) | Ribonucleotide Reductase R1 protein from Aquifex aeolicus | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Rehling, D, Scaletti, E.R, Stenmark, P. | Deposit date: | 2020-09-22 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus. Biochemistry, 61, 2022
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6ZVN
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![BU of 6zvn by Molmil](/molmil-images/mine/6zvn) | |
6ZVM
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![BU of 6zvm by Molmil](/molmil-images/mine/6zvm) | Botulinum neurotoxin B2 binding domain in complex with GD1a | Descriptor: | GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin | Authors: | Davies, J.R, Masuyer, G, Stenmark, P. | Deposit date: | 2020-07-25 | Release date: | 2020-10-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Biochemical Characterization of Botulinum Neurotoxin Subtype B2 Binding to Its Receptors. Toxins, 12, 2020
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2JIS
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![BU of 2jis by Molmil](/molmil-images/mine/2jis) | Human cysteine sulfinic acid decarboxylase (CSAD) in complex with PLP. | Descriptor: | CYSTEINE SULFINIC ACID DECARBOXYLASE, NITRATE ION, PYRIDOXAL-5'-PHOSPHATE | Authors: | Collins, R, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-30 | Release date: | 2007-08-28 | Last modified: | 2015-04-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of Human Cysteine Sulfinic Acid Decarboxylase (Csad) To be Published
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2JEO
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![BU of 2jeo by Molmil](/molmil-images/mine/2jeo) | Crystal structure of human uridine-cytidine kinase 1 | Descriptor: | URIDINE-CYTIDINE KINASE 1 | Authors: | Kosinska, U, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E.P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-18 | Release date: | 2007-01-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Human Uridine-Cytidine Kinase 1 To be Published
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2JBH
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![BU of 2jbh by Molmil](/molmil-images/mine/2jbh) | Human phosphoribosyl transferase domain containing 1 | Descriptor: | CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ... | Authors: | Welin, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Eklund, H, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | Deposit date: | 2006-12-07 | Release date: | 2006-12-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Studies of the Human Phosphoribosyltransferase Domain Containing Protein 1. FEBS J., 277, 2010
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2JCN
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![BU of 2jcn by Molmil](/molmil-images/mine/2jcn) | The crystal structure of BAK1 - a mitochondrial apoptosis regulator | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, SULFATE ION | Authors: | Moche, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Lundgren, S, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-27 | Release date: | 2007-01-04 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal Structure of Bak1 - an Apoptosis Trigger in the Mitochondrial Outer Membrane To be Published
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2JI4
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![BU of 2ji4 by Molmil](/molmil-images/mine/2ji4) | Human phosphoribosylpyrophosphate synthetase - associated protein 41 (PAP41) | Descriptor: | CHLORIDE ION, PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE-ASSOCIATED PROTEIN 2 | Authors: | Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | Deposit date: | 2007-02-26 | Release date: | 2007-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Human Phosphoribosylpyrophosphate Synthetase -Associated Protein 41 (Pap41) To be Published
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