1QIY
| HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR COMPLEXED WITH PHENOL | 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 (2.3 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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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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1JY1
| CRYSTAL STRUCTURE OF HUMAN TYROSYL-DNA PHOSPHODIESTERASE (TDP1) | Descriptor: | TYROSYL-DNA PHOSPHODIESTERASE | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | Deposit date: | 2001-09-10 | Release date: | 2002-02-20 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The crystal structure of human tyrosyl-DNA phosphodiesterase, Tdp1. Structure, 10, 2002
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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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2M72
| Solution structure of uncharacterized thioredoxin-like protein PG_2175 from Porphyromonas gingivalis | Descriptor: | Uncharacterized thioredoxin-like protein | Authors: | Harris, R, Ahmed, M, Attonito, J, Bonanno, J.B, Chamala, S, Chowdhury, S, Evans, B, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Seidel, R.D, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-16 | Release date: | 2013-05-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of uncharacterized thioredoxin-like protein PG_2175 from Porphyromonas gingivalis To be Published
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2M71
| Solution structure of the a C-terminal domain of translation initiation factor IF-3 from Campylobacter jejuni | Descriptor: | Translation initiation factor IF-3 | Authors: | Harris, R, Ahmed, M, Attonito, J, Bonanno, J.B, Chamala, S, Chowdhury, S, Evans, B, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Seidel, R.D, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-16 | Release date: | 2013-05-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the a C-terminal domain of translation initiation factor IF-3 from Campylobacter jejuni To be Published
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1JM6
| Pyruvate dehydrogenase kinase, isozyme 2, containing ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pyruvate dehydrogenase kinase, ... | Authors: | Steussy, C.N, Popov, K.M, Bowker-Kinley, M.M, Sloan, R.B, Harris, R.A, Hamilton, J.A. | Deposit date: | 2001-07-17 | Release date: | 2001-10-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of pyruvate dehydrogenase kinase. Novel folding pattern for a serine protein kinase. J.Biol.Chem., 276, 2001
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1LCS
| RECEPTOR-BINDING DOMAIN FROM SUBGROUP B FELINE LEUKEMIA VIRUS | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barnett, A.L, Wensel, D.L, Li, W, Fass, D, Cunningham, J.M. | Deposit date: | 2002-04-06 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Mechanism of a Coreceptor for Infection by a pathogenic feline retrovirus J.Virol., 77, 2003
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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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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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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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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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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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1MP2
| Structure of MT-ADPRase (Apoenzyme), a Nudix hydrolase from Mycobacterium tuberculosis | Descriptor: | ADPR pyrophosphatase | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-09-11 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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1MQE
| Structure of the MT-ADPRase in complex with gadolidium and ADP-ribose, a Nudix enzyme | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADPR pyrophosphatase, GADOLINIUM ION | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-09-16 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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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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1MR2
| Structure of the MT-ADPRase in complex with 1 Mn2+ ion and AMP-CP (a inhibitor), a nudix enzyme | Descriptor: | ADPR pyrophosphatase, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-09-17 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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1MK1
| Structure of the MT-ADPRase in complex with ADPR, a Nudix enzyme | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADPR pyrophosphatase | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-08-28 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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1MQW
| Structure of the MT-ADPRase in complex with three Mn2+ ions and AMPCPR, a Nudix enzyme | Descriptor: | ADPR pyrophosphatase, ALPHA-BETA METHYLENE ADP-RIBOSE, MANGANESE (II) ION | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-09-17 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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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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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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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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