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6NBT
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BU of 6nbt by Molmil
CRISPR Complex Subunit Csm3 from Staphylococcus epidermidis RP62a
Descriptor: CALCIUM ION, CRISPR-associated protein, SAMARIUM (III) ION
Authors:Dorsey, B.W, Mondragon, A.
Deposit date:2018-12-10
Release date:2019-02-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural organization of a Type III-A CRISPR effector subcomplex determined by X-ray crystallography and cryo-EM.
Nucleic Acids Res., 47, 2019
5MB6
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BU of 5mb6 by Molmil
Cocktail experiment D: fragments 308 and 333 at 50mM concentration
Descriptor: Endothiapepsin, GLYCEROL, SULFATE ION
Authors:Radeva, N, Koester, H, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Comparison of cocktail versus single soaking experiments
To Be Published
5MEI
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BU of 5mei by Molmil
Crystal structure of Agelastatin A bound to the 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O.
Deposit date:2016-11-15
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
1XEW
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BU of 1xew by Molmil
Structural biochemistry of ATP-driven dimerization and DNA stimulated activation of SMC ATPases.
Descriptor: SMC protein
Authors:Lammens, A, Schele, A, Hopfner, K.-P.
Deposit date:2004-09-13
Release date:2004-12-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural biochemistry of ATP-driven dimerization and DNA-stimulated activation of SMC ATPases
Curr.Biol., 14, 2004
3K21
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BU of 3k21 by Molmil
Crystal Structure of carboxy-terminus of PFC0420w.
Descriptor: ACETATE ION, CALCIUM ION, Calcium-dependent protein kinase 3, ...
Authors:Wernimont, A.K, Hutchinson, A, Artz, J.D, Mackenzie, F, Cossar, D, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-09-29
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structures of parasitic CDPK domains point to a common mechanism of activation.
Proteins, 79, 2011
3FV4
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BU of 3fv4 by Molmil
Thermolysin inhibition
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Englert, L, Biela, A, Heine, A, Klebe, G.
Deposit date:2009-01-15
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin.
Biochim.Biophys.Acta, 1800, 2010
5MCQ
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BU of 5mcq by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR
Descriptor: 1,2-ETHANEDIOL, BACE-1 ACTIVE AND EXOSITE BINDING INHIBITOR, Beta-secretase 1
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-10
Release date:2017-09-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
3FVP
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BU of 3fvp by Molmil
Thermolysin inhibition
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Englert, L, Biela, A, Heine, A, Klebe, G.
Deposit date:2009-01-16
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Thermolysin inhibition
To be Published
1XH0
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BU of 1xh0 by Molmil
Structure of the N298S variant of human pancreatic alpha-amylase complexed with acarbose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED HEXASACCHARIDE, Alpha-amylase, ...
Authors:Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D.
Deposit date:2004-09-17
Release date:2005-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase
PROTEIN SCI., 14, 2005
3FZV
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BU of 3fzv by Molmil
Crystal structure of PA01 protein, putative LysR family transcriptional regulator from Pseudomonas aeruginosa
Descriptor: Probable transcriptional regulator, SULFATE ION
Authors:Knapik, A.A, Tkaczuk, K.L, Chruszcz, M, Wang, S, Zimmerman, M.D, Cymborowski, M, Skarina, T, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Bujnicki, J.M, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-01-26
Release date:2009-03-10
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of PA01 protein, putative LysR family transcriptional regulator from Pseudomonas aeruginosa
To be Published
6NJV
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BU of 6njv by Molmil
C-terminal region of the Xanthomonas campestris pv. campestris OLD protein phased with iodine
Descriptor: IODIDE ION, MAGNESIUM ION, Xcc_CTR_I
Authors:Schiltz, C.J, Lee, A, Partlow, E.A, Hosford, C.J, Chappie, J.S.
Deposit date:2019-01-04
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of Class 2 OLD family nucleases supports a two-metal catalysis mechanism for cleavage.
Nucleic Acids Res., 47, 2019
3G7R
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BU of 3g7r by Molmil
Crystal structure of SCO4454, a TetR-family transcriptional regulator from Streptomyces coelicolor
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Xu, X, Chang, C, Gu, J, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-02-10
Release date:2009-03-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure and ligand specificity of SCO4454, a TetR-family transcriptional regulator from Streptomyces coelicolor
To be Published
6NRA
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BU of 6nra by Molmil
hTRiC-hPFD Class1 (No PFD)
Descriptor: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
Authors:Gestaut, D.R, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J.
Deposit date:2019-01-23
Release date:2019-06-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
1XR1
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BU of 1xr1 by Molmil
Crystal structure of hPim-1 kinase in complex with AMP-PNP at 2.1 A Resolution
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B.
Deposit date:2004-10-13
Release date:2004-11-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
4JTA
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BU of 4jta by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:MacKinnon, R, Banerjee, A, Lee, A, Campbell, E.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
6NTP
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BU of 6ntp by Molmil
PTP1B Domain of PTP1B-LOV2 Chimera
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1,NPH1-1
Authors:Hongdusit, A, Sankaran, B, Zwart, P.H, Fox, J.M.
Deposit date:2019-01-30
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Minimally disruptive optical control of protein tyrosine phosphatase 1B.
Nat Commun, 11, 2020
3GEH
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BU of 3geh by Molmil
Crystal structure of MnmE from Nostoc in complex with GDP, FOLINIC ACID and ZN
Descriptor: GUANOSINE-5'-DIPHOSPHATE, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ZINC ION, ...
Authors:Meyer, S, Wittinghofer, A.
Deposit date:2009-02-25
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Kissing G domains of MnmE monitored by X-ray crystallography and pulse electron paramagnetic resonance spectroscopy
Plos Biol., 7, 2009
3GCK
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BU of 3gck by Molmil
Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Singh, A.K, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
Deposit date:2009-02-22
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
To be Published
6NSU
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BU of 6nsu by Molmil
Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States
Descriptor: DIDEHYDROASPARTATE, IRON/SULFUR CLUSTER, Quinolinate synthase A
Authors:Esakova, O.A, Grove, T.L, Silakov, A, Yennawar, N.H, Booker, S.J.
Deposit date:2019-01-25
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Unexpected Species Determined by X-ray Crystallography that May Represent an Intermediate in the Reaction Catalyzed by Quinolinate Synthase.
J.Am.Chem.Soc., 141, 2019
6NT1
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BU of 6nt1 by Molmil
Catalase 3 from N.Crassa in ferrous state (2.89 MGy)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ...
Authors:Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V.
Deposit date:2019-01-27
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
3BIN
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BU of 3bin by Molmil
Structure of the DAL-1 and TSLC1 (372-383) complex
Descriptor: Band 4.1-like protein 3, Cell adhesion molecule 1
Authors:Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Persson, C, Hallberg, B.M.
Deposit date:2007-11-30
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of tumor suppressor in lung cancer 1 (TSLC1) binding to differentially expressed in adenocarcinoma of the lung (DAL-1/4.1B)
J.Biol.Chem., 286, 2011
6NVO
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BU of 6nvo by Molmil
Crystal structure of Pseudomonas putida nuclease MPE
Descriptor: MANGANESE (II) ION, Nuclease MPE
Authors:Goldgur, Y, Shuman, S, Ejaz, A.
Deposit date:2019-02-05
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Activity and structure ofPseudomonas putidaMPE, a manganese-dependent single-strand DNA endonuclease encoded in a nucleic acid repair gene cluster.
J.Biol.Chem., 294, 2019
6O06
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BU of 6o06 by Molmil
Extracellular factors prime enterovirus particles for uncoating
Descriptor: VP1, VP2, VP3
Authors:Domanska, A, Ruokolainen, V, Pelliccia, M, Laajala, M, Butcher, S.J, Marjomaki, V.S.
Deposit date:2019-02-15
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Extracellular Albumin and Endosomal Ions Prime Enterovirus Particles for Uncoating That Can Be Prevented by Fatty Acid Saturation.
J.Virol., 93, 2019
5MB3
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BU of 5mb3 by Molmil
Fragment 333 at a concentration of 50mM in complex with Endothiapepsin
Descriptor: 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.049 Å)
Cite:Comparison of cocktails versus single soaking experiments
To Be Published
3GH9
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BU of 3gh9 by Molmil
Crystal structure of EDTA-treated BdbD (Oxidised)
Descriptor: 1,2-ETHANEDIOL, Disulfide bond formation protein D, UNKNOWN ATOM OR ION
Authors:Crow, A, Lewin, A, Hederstedt, L, Le-Brun, N.E.
Deposit date:2009-03-03
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal Structure and Biophysical Properties of Bacillus subtilis BdbD: AN OXIDIZING THIOL:DISULFIDE OXIDOREDUCTASE CONTAINING A NOVEL METAL SITE
J.Biol.Chem., 284, 2009

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