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2P17
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BU of 2p17 by Molmil
Crystal structure of GK1651 from Geobacillus kaustophilus
Descriptor: FE (III) ION, Pirin-like protein
Authors:Zhu, J, Swindell II, J.T, Chen, L, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Fu, Z.-Q, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-02
Release date:2007-05-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal structure of GK1651 from Geobacillus kaustophilus
To be Published
4MVL
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BU of 4mvl by Molmil
Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40
Descriptor: Beta-amyloid protein 40, Neutrophil gelatinase-associated lipocalin
Authors:Eichinger, A, Skerra, A.
Deposit date:2013-09-24
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide.
Biochem.J., 473, 2016
2PCU
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BU of 2pcu by Molmil
Human carboxypeptidase A4 in complex with a cleaved hexapeptide.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARTIC ACID, Carboxypeptidase A4, ...
Authors:Bayes, A, Fernandez, D, Sola, M, Marrero, A, Garcia-Pique, S, Aviles, F.X, Vendrell, J, Gomis-Ruth, F.X.
Deposit date:2007-03-30
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Caught after the Act: a human A-type metallocarboxypeptidase in a product complex with a cleaved hexapeptide.
Biochemistry, 46, 2007
2Q0V
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BU of 2q0v by Molmil
Crystal structure of ubiquitin conjugating enzyme E2, putative, from Plasmodium falciparum
Descriptor: PHOSPHATE ION, Ubiquitin-conjugating enzyme E2, putative
Authors:Wernimont, A.K, Lew, J, Hassanali, A, Lin, L, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC)
Deposit date:2007-05-22
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of ubiquitin conjugating enzyme E2, putative, from Plasmodium falciparum.
To be Published
2PW6
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BU of 2pw6 by Molmil
Crystal structure of uncharacterized protein JW3007 from Escherichia coli K12
Descriptor: Uncharacterized protein ygiD, ZINC ION
Authors:Newton, M.G, Takagi, Y, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokayama, S, Li, Y, Chen, L, Zhu, J, Ruble, J, Liu, Z.J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-10
Release date:2007-06-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of uncharacterized protein JW3007 from Escherichia coli K12.
To be Published
3PKI
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BU of 3pki by Molmil
Human SIRT6 crystal structure in complex with ADP ribose
Descriptor: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2010-11-11
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
2PQZ
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BU of 2pqz by Molmil
HIV-1 Protease in complex with a pyrrolidine-based inhibitor
Descriptor: CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE), Protease
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2007-05-03
Release date:2008-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
1TI7
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BU of 1ti7 by Molmil
CRYSTAL STRUCTURE OF NMRA, A NEGATIVE TRANSCRIPTIONAL REGULATOR, IN COMPLEX WITH NADP AT 1.7A RESOLUTION
Descriptor: CHLORIDE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Lamb, H.K, Leslie, K, Dodds, A.L, Nutley, M, Cooper, A, Johnson, C, Thompson, P, Stammers, D.K, Hawkins, A.R.
Deposit date:2004-06-02
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The negative transcriptional regulator NmrA discriminates between oxidized and reduced dinucleotides.
J.Biol.Chem., 278, 2003
2PSW
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BU of 2psw by Molmil
Human MAK3 homolog in complex with CoA
Descriptor: COENZYME A, N-acetyltransferase 13
Authors:Walker, J.R, Schuetz, A, Antoshenko, T, Wu, H, Bernstein, G, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-05-07
Release date:2007-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Human MAK3 homolog.
To be Published
4MVI
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BU of 4mvi by Molmil
Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the Alzheimer amyloid peptide Abeta(1-40)
Descriptor: Beta-amyloid protein 40, Neutrophil gelatinase-associated lipocalin
Authors:Eichinger, A, Skerra, A.
Deposit date:2013-09-24
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide.
Biochem.J., 473, 2016
2PWR
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BU of 2pwr by Molmil
HIV-1 protease in complex with a carbamoyl decorated pyrrolidine-based inhibitor
Descriptor: 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, GLYCEROL, ...
Authors:Boettcher, B, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2007-05-12
Release date:2008-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
1TIJ
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BU of 1tij by Molmil
3D Domain-swapped human cystatin C with amyloid-like intermolecular beta-sheets
Descriptor: Cystatin C
Authors:Janowski, R, Kozak, M, Abrahamson, M, Grubb, A, Jaskolski, M.
Deposit date:2004-06-02
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:3D domain-swapped human cystatin C with amyloidlike intermolecular beta-sheets.
Proteins, 61, 2005
7CCN
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BU of 7ccn by Molmil
The binding structure of a lanthanide binding tag (LBT3) with lutetium ion (Lu3+)
Descriptor: LBT3, LUTETIUM (III) ION
Authors:Hatanaka, T, Kikkawa, N, Matsugami, A, Hosokawa, Y, Hayashi, F, Ishida, N.
Deposit date:2020-06-17
Release date:2021-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The origins of binding specificity of a lanthanide ion binding peptide.
Sci Rep, 10, 2020
2PH3
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BU of 2ph3 by Molmil
Crystal structure of 3-oxoacyl-[acyl carrier protein] reductase TTHA0415 from Thermus thermophilus
Descriptor: 3-oxoacyl-[acyl carrier protein] reductase
Authors:Swindell II, J.T, Chen, L, Zhu, J, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Fu, Z.-Q, Chrzas, J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-10
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of 3-oxoacyl-[acyl carrier protein] reductase TTHA0415 from Thermus thermophilus
To be Published
3NAD
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BU of 3nad by Molmil
Crystal Structure of Phenolic Acid Decarboxylase from Bacillus pumilus UI-670
Descriptor: Ferulate decarboxylase, SULFATE ION
Authors:Matte, A, Grosse, S, Bergeron, H, Abokitse, K, Lau, P.C.K.
Deposit date:2010-06-01
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural analysis of Bacillus pumilus phenolic acid decarboxylase, a lipocalin-fold enzyme.
Acta Crystallogr.,Sect.F, 66, 2010
2POE
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BU of 2poe by Molmil
Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660
Descriptor: Cyclophilin-like protein, putative, FORMIC ACID
Authors:Wernimont, A.K, Lew, J, Hills, T, Hassanali, A, Lin, L, Wasney, G, Zhao, Y, Kozieradzki, I, Vedadi, M, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2007-04-26
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660.
To be Published
2PJS
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BU of 2pjs by Molmil
Crystal structure of Atu1953, protein of unknown function
Descriptor: Uncharacterized protein Atu1953, ZINC ION
Authors:Chang, C, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-04-16
Release date:2007-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Glyoxalase/Bleomycin resistance protein/Dioxygenase superfamily protein Atu1953, protein of unknown function
To be Published
2PWC
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BU of 2pwc by Molmil
HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor
Descriptor: CHLORIDE ION, GLYCEROL, Gag-Pol polyprotein (Pr160Gag-Pol), ...
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2007-05-11
Release date:2008-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
2PZY
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BU of 2pzy by Molmil
Structure of MK2 Complexed with Compound 76
Descriptor: (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, MAP kinase-activated protein kinase 2, STAUROSPORINE
Authors:White, A, Wu, J.P, Wang, J, Abeywardane, A, Andersen, D, Emmanuel, M, Gautschi, E, Goldberg, D.R, Kashem, M.A, Lukas, S, Mao, W, Martin, L, Morwick, T, Moss, N, Pargellis, C, Patel, U.R, Patnaude, L, Peet, G.W, Skow, D, Snow, R.J, Ward, Y, Werneburg, B.
Deposit date:2007-05-18
Release date:2007-07-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The discovery of carboline analogs as potent MAPKAP-K2 inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
1UTX
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BU of 1utx by Molmil
Regulation of Cytolysin Expression by Enterococcus faecalis: Role of CylR2
Descriptor: CYLR2, IODIDE ION, SODIUM ION
Authors:Razeto, A, Rumpel, S, Pillar, C.M, Gilmore, M.S, Becker, S, Zweckstetter, M.
Deposit date:2003-12-12
Release date:2004-09-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and DNA-Binding Properties of the Cytolysin Regulator CylR2 from Enterococcus Faecalis
Embo J., 23, 2004
2OBY
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BU of 2oby by Molmil
Crystal structure of Human P53 inducible oxidoreductase (TP53I3,PIG3)
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative quinone oxidoreductase
Authors:Porte, S, Valencia, E, Farres, J, Fita, I, Pike, A.C.W, Shafqat, N, Debreczeni, J, Johansson, C, Haroniti, A, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, von Delft, F, Oppermann, U, Pares, X.
Deposit date:2006-12-20
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human P53 inducible oxidoreductase (TP53I3, PIG3)
To be Published
1TOZ
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BU of 1toz by Molmil
NMR structure of the human NOTCH-1 ligand binding region
Descriptor: Neurogenic locus notch homolog protein 1
Authors:Hambleton, S, Valeyev, N.Y, Muranyi, A, Knott, V, Werner, J.M, Mcmichael, A.J, Handford, P.A, Downing, A.K.
Deposit date:2004-06-15
Release date:2004-10-12
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structural and functional properties of the human notch-1 ligand binding region
STRUCTURE, 12, 2004
2NYU
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BU of 2nyu by Molmil
Crystal Structure of Human FtsJ homolog 2 (E.coli) protein in complex with S-adenosylmethionine
Descriptor: Putative ribosomal RNA methyltransferase 2, S-ADENOSYLMETHIONINE
Authors:Dong, A, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-11-21
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The Crystal Structure of Human FtsJ homolog 2 (E.coli) protein in complex with AdoMet
To be Published
1TP9
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BU of 1tp9 by Molmil
PRX D (type II) from Populus tremula
Descriptor: SULFATE ION, peroxiredoxin
Authors:Echalier, A, Trivelli, X, Corbier, C, Rouhier, N, Walker, O, Tsan, P, Jacquot, J.P, Krimm, I, Lancelin, J.M.
Deposit date:2004-06-16
Release date:2005-04-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure and solution NMR dynamics of a D (type II) peroxiredoxin glutaredoxin and thioredoxin dependent: a new insight into the peroxiredoxin oligomerism
Biochemistry, 44, 2005
4N6F
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BU of 4n6f by Molmil
Crystal structure of Amycolatopsis orientalis BexX complexed with G6P
Descriptor: CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase
Authors:Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
Deposit date:2013-10-11
Release date:2014-05-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014

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