5KFX
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1AQV
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![BU of 1aqv by Molmil](/molmil-images/mine/1aqv) | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | Deposit date: | 1997-08-01 | Release date: | 1997-12-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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1AZO
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![BU of 1azo by Molmil](/molmil-images/mine/1azo) | DNA MISMATCH REPAIR PROTEIN MUTH FROM E. COLI | Descriptor: | 1,2-ETHANEDIOL, MUTH | Authors: | Yang, W. | Deposit date: | 1997-11-19 | Release date: | 1998-05-20 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for MutH activation in E.coli mismatch repair and relationship of MutH to restriction endonucleases. EMBO J., 17, 1998
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2C8Y
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![BU of 2c8y by Molmil](/molmil-images/mine/2c8y) | thrombin inhibitors | Descriptor: | DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE, ... | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | Deposit date: | 2005-12-08 | Release date: | 2006-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors J.Med.Chem., 49, 2006
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1AQW
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![BU of 1aqw by Molmil](/molmil-images/mine/1aqw) | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | Deposit date: | 1997-08-03 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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2VWO
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![BU of 2vwo by Molmil](/molmil-images/mine/2vwo) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VWM
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![BU of 2vwm by Molmil](/molmil-images/mine/2vwm) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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5K1N
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![BU of 5k1n by Molmil](/molmil-images/mine/5k1n) | Human TTR altered by a rhenium tris-carbonyl Pyta-C12 derivative | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stura, E.A, Ciccone, L, Shepard, W. | Deposit date: | 2016-05-18 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Human TTR conformation altered by rhenium tris-carbonyl derivatives. J.Struct.Biol., 195, 2016
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2EPW
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![BU of 2epw by Molmil](/molmil-images/mine/2epw) | Solution structure of the 24th C2H2 type zinc finger domain of Zinc finger protein 268 | Descriptor: | ZINC ION, Zinc finger protein 268 | Authors: | Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-30 | Release date: | 2007-10-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the 24th C2H2 type zinc finger domain of Zinc finger protein 268 To be Published
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5K29
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![BU of 5k29 by Molmil](/molmil-images/mine/5k29) | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) | Descriptor: | UNKNOWN ATOM OR ION, uncharacterized protein BDF5 | Authors: | Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2016-05-18 | Release date: | 2016-07-13 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) To Be Published
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2VSH
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![BU of 2vsh by Molmil](/molmil-images/mine/2vsh) | Synthesis of CDP-activated ribitol for teichoic acid precursors in Streptococcus pneumoniae | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Baur, S, Marles-Wright, J, Buckenmaier, S, Lewis, R.J, Vollmer, W. | Deposit date: | 2008-04-23 | Release date: | 2008-12-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis of Cdp-Activated Ribitol for Teichoic Acid Precursors in Streptococcus Pneumoniae. J.Bacteriol., 191, 2009
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2VWN
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![BU of 2vwn by Molmil](/molmil-images/mine/2vwn) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VVC
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![BU of 2vvc by Molmil](/molmil-images/mine/2vvc) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-05 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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1AQX
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![BU of 1aqx by Molmil](/molmil-images/mine/1aqx) | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX | Descriptor: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | Deposit date: | 1997-08-03 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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1AOA
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![BU of 1aoa by Molmil](/molmil-images/mine/1aoa) | N-TERMINAL ACTIN-CROSSLINKING DOMAIN FROM HUMAN FIMBRIN | Descriptor: | T-FIMBRIN | Authors: | Goldsmith, S.C, Pokala, N, Shen, W, Fedorov, A.A, Matsudaira, P, Almo, S.C. | Deposit date: | 1997-06-30 | Release date: | 1997-12-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of an actin-crosslinking domain from human fimbrin. Nat.Struct.Biol., 4, 1997
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1KCZ
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![BU of 1kcz by Molmil](/molmil-images/mine/1kcz) | Crystal Structure of beta-methylaspartase from Clostridium tetanomorphum. Mg-complex. | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, beta-methylaspartase | Authors: | Asuncion, M, Blankenfeldt, W, Barlow, J.N, Gani, D, Naismith, J.H. | Deposit date: | 2001-11-12 | Release date: | 2001-12-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step. J.Biol.Chem., 277, 2002
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5K9W
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![BU of 5k9w by Molmil](/molmil-images/mine/5k9w) | Protein Tyrosine Phosphatase 1B (1-301) in complex with TCS401, closed state | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Choy, M.S, Peti, W, Page, R. | Deposit date: | 2016-06-01 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery. Mol. Cell, 65, 2017
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1ATL
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![BU of 1atl by Molmil](/molmil-images/mine/1atl) | Structural interaction of natural and synthetic inhibitors with the VENOM METALLOPROTEINASE, ATROLYSIN C (FORM-D) | Descriptor: | CALCIUM ION, O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine, Snake venom metalloproteinase atrolysin-D, ... | Authors: | Zhang, D, Botos, I, Gomis-Rueth, F.-X, Doll, R, Blood, C, Njoroge, F.G, Fox, J.W, Bode, W, Meyer, E.F. | Deposit date: | 1995-05-26 | Release date: | 1995-10-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d). Proc.Natl.Acad.Sci.USA, 91, 1994
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5KA7
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![BU of 5ka7 by Molmil](/molmil-images/mine/5ka7) | Protein Tyrosine Phosphatase 1B T178A mutant in complex with TCS401, closed state | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Choy, M.S, Peti, W, Page, R. | Deposit date: | 2016-06-01 | Release date: | 2017-03-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery. Mol. Cell, 65, 2017
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1AUK
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![BU of 1auk by Molmil](/molmil-images/mine/1auk) | HUMAN ARYLSULFATASE A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARYLSULFATASE A, MAGNESIUM ION | Authors: | Lukatela, G, Krauss, N, Theis, K, Gieselmann, V, Von Figura, K, Saenger, W. | Deposit date: | 1997-08-29 | Release date: | 1998-03-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human arylsulfatase A: the aldehyde function and the metal ion at the active site suggest a novel mechanism for sulfate ester hydrolysis. Biochemistry, 37, 1998
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2EPQ
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![BU of 2epq by Molmil](/molmil-images/mine/2epq) | Solution structure of the third zinc finger domain of Zinc finger protein 278 | Descriptor: | POZ-, AT hook-, and zinc finger-containing protein 1, ... | Authors: | Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-30 | Release date: | 2008-02-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the third zinc finger domain of Zinc finger protein 278 To be Published
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2E5P
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![BU of 2e5p by Molmil](/molmil-images/mine/2e5p) | Solution structure of the TUDOR domain of PHD finger protein 1 (PHF1 protein) | Descriptor: | PHD finger protein 1 | Authors: | Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-12-22 | Release date: | 2007-06-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the TUDOR domain of PHD finger protein 1 (PHF1 protein) To be Published
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2EQN
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![BU of 2eqn by Molmil](/molmil-images/mine/2eqn) | Solution structure of the NAF1 domain of Hypothetical protein BC008207 [Homo sapiens] | Descriptor: | Hypothetical protein LOC92345 | Authors: | Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-30 | Release date: | 2007-10-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the NAF1 domain of Hypothetical protein BC008207 [Homo sapiens] To be Published
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5KFE
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5KFO
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