1AJZ
 
 | | STRUCTURE OF DIHYDROPTEROATE PYROPHOSPHORYLASE | | Descriptor: | DIHYDROPTEROATE SYNTHASE, SULFATE ION | | Authors: | Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K. | | Deposit date: | 1997-05-13 | | Release date: | 1998-05-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase.
Nat.Struct.Biol., 4, 1997
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1AJ0
 | | CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, DIHYDROPTEROATE SYNTHASE, SULFANILAMIDE, ... | | Authors: | Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K. | | Deposit date: | 1997-05-14 | | Release date: | 1998-05-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase.
Nat.Struct.Biol., 4, 1997
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1QJ0
 | | HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR | | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Tang, L, Whittingham, J.L, Verma, C.S, Caves, L.S.D, Dodson, G.G. | | Deposit date: | 1999-06-18 | | Release date: | 1999-06-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Consequences of the B5 Histidine --> Tyrosine Mutation in Human Insulin Characterized by X-Ray Crystallography and Conformational Analysis.
Biochemistry, 38, 1999
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1DY3
 | | Ternary complex of 7,8-dihydro-6-hydroxymethylpterinpyrophosphokinase from Escherichia coli with ATP and a substrate analogue. | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL-7-[2-PHENYLETHYL]-PTERIN, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Stammers, D.K, Achari, A, Somers, D.O, Bryant, P.K, Rosemond, J, Scott, D.L, Champness, J.N. | | Deposit date: | 2000-01-21 | | Release date: | 2000-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.0A X-Ray Structure of the Ternary Complex of 7,8-Dihydro-6-Hydroxymethylpterinpyrophosphokinase from Escherichia Coli with ATP and a Substrate Analogue
FEBS Lett., 456, 1999
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2MKR
 | | Structural Characterization of a Complex Between the Acidic Transactivation Domain of EBNA2 and the Tfb1/p62 subunit of TFIIH. | | Descriptor: | Epstein-Barr nuclear antigen 2, RNA polymerase II transcription factor B subunit 1 | | Authors: | Chabot, P.R, Raiola, L, Lussier-Price, M, Morse, T, Arseneault, G, Archambault, J, Omichinski, J. | | Deposit date: | 2014-02-12 | | Release date: | 2014-03-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Characterization of a Complex between the Acidic Transactivation Domain of EBNA2 and the Tfb1/p62 Subunit of TFIIH.
Plos Pathog., 10, 2014
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2Q1H
 | | Ancestral Corticoid Receptor in Complex with Aldosterone | | Descriptor: | ALDOSTERONE, AncCR, GLYCEROL, ... | | Authors: | Ortlund, E.A, Bridgham, J.T, Redinbo, M.R, Thornton, J.W. | | Deposit date: | 2007-05-24 | | Release date: | 2007-09-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an ancient protein: evolution by conformational epistasis.
Science, 317, 2007
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2Q3Y
 | | Ancestral Corticiod Receptor in Complex with DOC | | Descriptor: | Ancestral Corticiod Receptor, DESOXYCORTICOSTERONE, GLYCEROL, ... | | Authors: | Ortlund, E.A, Bridgham, J.T, Redinbo, M.R, Thornton, J.W. | | Deposit date: | 2007-05-30 | | Release date: | 2007-09-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of an ancient protein: evolution by conformational epistasis
Science, 317, 2007
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3FW3
 | | Crystal Structure of soluble domain of CA4 in complex with Dorzolamide | | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 4, SULFATE ION, ... | | Authors: | Greasley, S.E, Ferre, R.A.A, Paz, R, Wickersham, J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
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1QHI
 | | HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | | Descriptor: | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION | | Authors: | Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. | | Deposit date: | 1999-05-12 | | Release date: | 1999-07-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
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2BXT
 | | Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | | Descriptor: | 6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN VARIANT-2 | | Authors: | Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. | | Deposit date: | 2005-07-27 | | Release date: | 2006-10-26 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
Lett.Drug Des.Discovery, 3, 2006
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2BVX
 | | Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | | Descriptor: | ALPHA THROMBIN, HIRUDIN VARIANT-2, N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE | | Authors: | Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. | | Deposit date: | 2005-07-04 | | Release date: | 2006-10-25 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
Lett.Drug Des.Discovery, 3, 2006
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2BXU
 | | Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | | Descriptor: | 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN | | Authors: | Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. | | Deposit date: | 2005-07-27 | | Release date: | 2006-10-26 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
Lett.Drug Des.Discovery, 3, 2006
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2XIR
 | | Crystal structure of the VEGFR2 kinase domain in complex with PF- 00337210 (N,2-dimethyl-6-(7-(2-morpholinoethoxy)quinolin-4-yloxy) benzofuran-3-carboxamide) | | Descriptor: | N,2-DIMETHYL-6-{[7-(2-MORPHOLIN-4-YLETHOXY)QUINOLIN-4-YL]OXY}-1-BENZOFURAN-3-CARBOXAMIDE, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | | Authors: | McTigue, M, Wickersham, J, Pinko, C, Hong, Y, Marrone, T. | | Deposit date: | 2010-06-30 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of the Selective Vegfr Inhibitor Pf- 00337210
To be Published
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1A1Q
 | | HEPATITIS C VIRUS NS3 PROTEINASE | | Descriptor: | NS3 PROTEINASE, ZINC ION | | Authors: | Love, R.A, Parge, H.E, Wickersham, J.A, Hostomsky, Z, Habuka, N, Moomaw, E.W, Adachi, T, Hostomska, Z. | | Deposit date: | 1997-12-12 | | Release date: | 1998-03-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of hepatitis C virus NS3 proteinase reveals a trypsin-like fold and a structural zinc binding site.
Cell(Cambridge,Mass.), 87, 1996
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1AZX
 | | ANTITHROMBIN/PENTASACCHARIDE COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, ANTITHROMBIN | | Authors: | Jin, L, Abrahams, J.P, Skinner, R, Petitou, M, Pike, R.N, Carrell, R.W. | | Deposit date: | 1997-11-23 | | Release date: | 1999-01-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The anticoagulant activation of antithrombin by heparin.
Proc.Natl.Acad.Sci.USA, 94, 1997
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1MO7
 | | ATPase | | Descriptor: | Sodium/Potassium-transporting ATPase alpha-1 chain | | Authors: | Hilge, M, Siegal, G, Vuister, G.W, Guentert, P, Gloor, S.M, Abrahams, J.P. | | Deposit date: | 2002-09-08 | | Release date: | 2003-06-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | ATP-induced conformational changes of the nucleotide-binding domain of Na,K-ATPase
Nat.Struct.Biol., 10, 2003
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1MO8
 | | ATPase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Sodium/Potassium-Transporting ATPase alpha-1 | | Authors: | Hilge, M, Siegal, G, Vuister, G.W, Guentert, P, Gloor, S.M, Abrahams, J.P. | | Deposit date: | 2002-09-08 | | Release date: | 2003-06-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | ATP-induced conformational changes of the nucleotide-binding domain of Na,K-ATPase
Nat.Struct.Biol., 10, 2003
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1JWI
 | | Crystal Structure of Bitiscetin, a von Willeband Factor-dependent Platelet Aggregation Inducer. | | Descriptor: | bitiscetin, platelet aggregation inducer | | Authors: | Hirotsu, S, Mizuno, H, Fukuda, K, Qi, M.C, Matsui, T, Hamako, J, Morita, T, Titani, K. | | Deposit date: | 2001-09-04 | | Release date: | 2001-11-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of bitiscetin, a von Willebrand factor-dependent platelet aggregation inducer.
Biochemistry, 40, 2001
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2J94
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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2J95
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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2J5G
 | | The Native structure of a beta-Diketone Hydrolase from the Cyanobacterium Anabaena sp. PCC 7120 | | Descriptor: | ALR4455 PROTEIN, SULFATE ION | | Authors: | Bennett, J.P, Whittingham, J.L, Brzozowski, A.M, Leonard, P.M, Grogan, G. | | Deposit date: | 2006-09-18 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structural Characterisation of a Beta Diketone Hydrolase from the Cyanobacterium Anabaena Sp. Pcc 7120 in Native and Product Bound Forms, a Coenzyme A-Independent Member of the Crotonase Suprafamily
Biochemistry, 46, 2007
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2J6V
 | | Crystal structure of the DNA repair enzyme UV Damage Endonuclease | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, UV ENDONUCLEASE | | Authors: | Paspaleva, K, Thomassen, E.A.J, Pannu, N.S, Goossen, N, Abrahams, J.P. | | Deposit date: | 2006-10-04 | | Release date: | 2007-10-16 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of the DNA Repair Enzyme Ultraviolet Damage Endonuclease.
Structure, 15, 2007
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2KEF
 | | Solution NMR structures of human hepcidin at 325K | | Descriptor: | Hepcidin | | Authors: | Jordan, J.B, Poppe, L, Hainu, M, Arvedson, T, Syed, R, Li, V, Kohno, H, Kim, H, Miranda, L.P, Cheetham, J, Sasu, B.J. | | Deposit date: | 2009-01-29 | | Release date: | 2009-06-23 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Hepcidin revisited, disulfide connectivity, dynamics, and structure.
J.Biol.Chem., 284, 2009
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2L68
 | | Solution Structure of Human Holo L-FABP | | Descriptor: | Fatty acid-binding protein, liver | | Authors: | Cai, J, Luecke, C, Chen, Z, Qiao, Y, Klimtchuk, E.S, Hamilton, J.A. | | Deposit date: | 2010-11-17 | | Release date: | 2011-11-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of human liver fatty acid binding protein: fatty acid binding revisited.
Biophys.J., 102, 2012
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2L67
 | | Solution Structure of Human Apo L-FABP | | Descriptor: | Fatty acid-binding protein, liver | | Authors: | Cai, J, Luecke, C, Chen, Z, Qiao, Y, Klimtchuk, E.S, Hamilton, J.A. | | Deposit date: | 2010-11-17 | | Release date: | 2011-11-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of human liver fatty acid binding protein: fatty acid binding revisited.
Biophys.J., 102, 2012
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