1IM8
 
 | | Crystal structure of YecO from Haemophilus influenzae (HI0319), a methyltransferase with a bound S-adenosylhomocysteine | | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOSELENOCYSTEINE, YecO | | Authors: | Lim, K, Zhang, H, Tempczyk, A, Bonander, N, Toedt, J, Howard, A, Eisenstein, E, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2001-05-10 | | Release date: | 2001-11-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of YecO from Haemophilus influenzae (HI0319) reveals a methyltransferase fold and a bound S-adenosylhomocysteine.
Proteins, 45, 2001
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1IJL
 | | Crystal structure of acidic phospholipase A2 from deinagkistrodon acutus | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2, ZINC ION | | Authors: | Gu, L, Zhang, H, Song, S, Zhou, Y, Lin, Z. | | Deposit date: | 2001-04-27 | | Release date: | 2001-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of an acidic phospholipase A2 from the venom of Deinagkistrodon acutus.
Acta Crystallogr.,Sect.D, 58, 2002
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4I5X
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid | | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y. | | Deposit date: | 2012-11-29 | | Release date: | 2013-10-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
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5JPU
 | | Structure of limonene epoxide hydrolase mutant - H-2-H5 complex with (S,S)-cyclohexane-1,2-diol | | Descriptor: | (1S,2S)-cyclohexane-1,2-diol, limonene epoxide hydrolase | | Authors: | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
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4JIH
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat | | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid | | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-03-06 | | Release date: | 2013-10-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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4JIR
 | | Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X. | | Deposit date: | 2013-03-06 | | Release date: | 2013-10-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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1YSN
 | | Solution structure of the anti-apoptotic protein Bcl-xL complexed with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-08 | | Release date: | 2005-06-07 | | Last modified: | 2023-11-29 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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5JPP
 | | Structure of limonene epoxide hydrolase mutant - H-2-H5 | | Descriptor: | limonene epoxide hydrolase | | Authors: | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
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4X1B
 | | Human serum transferrin with ferric ion bound at the C-lobe only | | Descriptor: | FE (III) ION, GLYCEROL, MALONATE ION, ... | | Authors: | Wang, M, Zhang, H, Sun, H. | | Deposit date: | 2014-11-24 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | "Anion clamp" allows flexible protein to impose coordination geometry on metal ions
Chem.Commun.(Camb.), 51, 2015
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4RTH
 | | The crystal structure of PsbP from Zea mays | | Descriptor: | Membrane-extrinsic protein of photosystem II PsbP | | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | | Deposit date: | 2014-11-15 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
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1XA7
 | | Crystal structure of the benzylpenicillin-acylated BlaR1 sensor domain from Staphylococcus aureus | | Descriptor: | OPEN FORM - PENICILLIN G, Regulatory protein BlaR1 | | Authors: | Wilke, M.S, Hills, T.L, Zhang, H.Z, Chambers, H.F, Strynadka, N.C. | | Deposit date: | 2004-08-25 | | Release date: | 2004-09-21 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of the Apo and penicillin-acylated forms of the BlaR1 beta-lactam sensor of Staphylococcus aureus.
J.Biol.Chem., 279, 2004
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4JII
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-03-06 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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4RTI
 | | The crystal structure of PsbP from Spinacia oleracea | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Oxygen-evolving enhancer protein 2, ... | | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | | Deposit date: | 2014-11-15 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
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1YSW
 | | Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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1YSG
 | | Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR" Ligands | | Descriptor: | 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL, Apoptosis regulator Bcl-X | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-08 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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1YSI
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-08 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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1KQN
 | | Crystal structure of NMN/NaMN adenylyltransferase complexed with NAD | | Descriptor: | NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XENON | | Authors: | Zhou, T, Kurnasov, O, Tomchick, D.R, Binns, D.D, Grishin, N.V, Marquez, V.E, Osterman, A.L, Zhang, H. | | Deposit date: | 2002-01-07 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Human Nicotinamide/Nicotonic Acid Mononucleotide Adenylyltransferase. Basis for the dual substrate specificity and activation of the oncolytic agent tiazofurin.
J.Biol.Chem., 277, 2003
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1YSX
 | | Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against Bcl-xL and Bcl-2 | | Descriptor: | 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE, Serum albumin | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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1KQO
 | | Crystal structure of NMN/NaMN adenylyltransferase complexed with deamido-NAD | | Descriptor: | NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE, NICOTINIC ACID ADENINE DINUCLEOTIDE | | Authors: | Zhou, T, Kurnasov, O, Tomchick, D.R, Binns, D.D, Grishin, N.V, Marquez, V.E, Osterman, A.L, Zhang, H. | | Deposit date: | 2002-01-07 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Hhuman of Nicotinamide/Nicotinic Acid Mononucleotide Adenylyltransferase.
Basis for the dual substrate specificity and activation of the oncolytic agent tiazofurin.
J.Biol.Chem., 277, 2002
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1KR2
 | | CRYSTAL STRUCTURE OF HUMAN NMN/NAMN ADENYLYL TRANSFERASE COMPLEXED WITH TIAZOFURIN ADENINE DINUCLEOTIDE (TAD) | | Descriptor: | BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE | | Authors: | Zhou, T, Kurnasov, O, Tomchick, D.R, Binns, D.D, Grishin, N.V, Marquez, V.E, Osterman, A.L, Zhang, H. | | Deposit date: | 2002-01-08 | | Release date: | 2003-01-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of Hhuman of Nicotinamide/Nicotinic Acid Mononucleotide Adenylyltransferase.
Basis for the dual substrate specificity and activation of the oncolytic agent tiazofurin.
J.Biol.Chem., 277, 2002
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4KYK
 | | Crystal structure of mouse glyoxalase I complexed with indomethacin | | Descriptor: | INDOMETHACIN, Lactoylglutathione lyase, ZINC ION | | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | | Deposit date: | 2013-05-29 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
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1W5W
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-10 | | Release date: | 2004-12-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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6LG5
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5H19
 | | EED in complex with PRC2 allosteric inhibitor EED162 | | Descriptor: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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4S1K
 | | Structure of Uranotaenia sapphirina cypovirus (CPV17) polyhedrin at 100 K | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | | Authors: | Ginn, H.M, Messerschmidt, M, Ji, X, Zhang, H, Axford, D, Gildea, R.J, Winter, G, Brewster, A.S, Hattne, J, Wagner, A, Grimes, J.M, Evans, G, Sauter, N.K, Sutton, G, Stuart, D.I. | | Deposit date: | 2015-01-14 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data.
Nat Commun, 6, 2015
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