1AI6
 
 | | PENICILLIN ACYLASE WITH P-HYDROXYPHENYLACETIC ACID | | Descriptor: | 4-HYDROXYPHENYLACETATE, CALCIUM ION, PENICILLIN AMIDOHYDROLASE | | Authors: | Done, S.H. | | Deposit date: | 1997-05-01 | | Release date: | 1997-11-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Ligand-induced conformational change in penicillin acylase.
J.Mol.Biol., 284, 1998
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1A01
 | | HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 ALA) MUTANT | | Descriptor: | HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kavanaugh, J.S, Arnone, A. | | Deposit date: | 1997-12-08 | | Release date: | 1998-03-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution crystal structures of human hemoglobin with mutations at tryptophan 37beta: structural basis for a high-affinity T-state,.
Biochemistry, 37, 1998
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1AJN
 | | PENICILLIN ACYLASE COMPLEXED WITH P-NITROPHENYLACETIC ACID | | Descriptor: | 2-(4-NITROPHENYL)ACETIC ACID, CALCIUM ION, PENICILLIN AMIDOHYDROLASE | | Authors: | Done, S.H. | | Deposit date: | 1997-05-07 | | Release date: | 1997-11-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Ligand-induced conformational change in penicillin acylase.
J.Mol.Biol., 284, 1998
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1AHT
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1AJP
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1AW2
 | | TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS | | Descriptor: | SULFATE ION, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Maes, D, Zeelen, J.P, Wierenga, R.K. | | Deposit date: | 1997-10-09 | | Release date: | 1998-01-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Triose-phosphate isomerase (TIM) of the psychrophilic bacterium Vibrio marinus. Kinetic and structural properties.
J.Biol.Chem., 273, 1998
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2AEI
 | | Crystal structure of a ternary complex of factor VIIa/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3-phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid | | Descriptor: | 2-({6-{3-[AMINO(IMINO)METHYL]PHENOXY}-3,5-DIFLUORO-4-[(1-METHYL-3-PHENYLPROPYL)AMINO]-2-PYRIDINYL}OXY)BENZOIC ACID, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2005-07-22 | | Release date: | 2006-08-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex.
Bioorg.Med.Chem.Lett., 15, 2005
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1COB
 | | CRYSTAL STRUCTURE SOLUTION AND REFINEMENT OF THE SEMISYNTHETIC COBALT SUBSTITUTED BOVINE ERYTHROCYTE ENZYME SUPEROXIDE DISMUTASE AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | COBALT (II) ION, COPPER (II) ION, SUPEROXIDE DISMUTASE | | Authors: | Djinovic, K, Coda, A, Antolini, L, Pelosi, G, Desideri, A, Falconi, M, Rotilio, G, Bolognesi, M. | | Deposit date: | 1992-02-19 | | Release date: | 1993-10-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure solution and refinement of the semisynthetic cobalt-substituted bovine erythrocyte superoxide dismutase at 2.0 A resolution.
J.Mol.Biol., 226, 1992
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1Y2G
 | | Crystal STructure of ZipA in complex with an inhibitor | | Descriptor: | Cell division protein zipA, N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE | | Authors: | Mosyak, L, Rush, T.S. | | Deposit date: | 2004-11-22 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction
J.Med.Chem., 48, 2005
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1D6N
 | | TERNARY COMPLEX STRUCTURE OF HUMAN HGPRTASE, PRPP, MG2+, AND THE INHIBITOR HPP REVEALS THE INVOLVEMENT OF THE FLEXIBLE LOOP IN SUBSTRATE BINDING | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL, MAGNESIUM ION, ... | | Authors: | Balendiran, G.K. | | Deposit date: | 1999-10-14 | | Release date: | 1999-12-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ternary complex structure of human HGPRTase, PRPP, Mg2+, and the inhibitor HPP reveals the involvement of the flexible loop in substrate binding.
Protein Sci., 8, 1999
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1CBW
 | | BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI | | Descriptor: | BOVINE CHYMOTRYPSIN, BPTI, SULFATE ION | | Authors: | Hynes, T.R, Scheidig, A.J, Kossiakoff, A.A. | | Deposit date: | 1996-12-22 | | Release date: | 1997-07-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of bovine chymotrypsin and trypsin complexed to the inhibitor domain of Alzheimer's amyloid beta-protein precursor (APPI) and basic pancreatic trypsin inhibitor (BPTI): engineering of inhibitors with altered specificities.
Protein Sci., 6, 1997
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1BN4
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | CARBONIC ANHYDRASE, MERCURY (II) ION, N-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-31 | | Release date: | 1999-05-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BJV
 | | BETA-TRYPSIN COMPLEXED WITH APPU | | Descriptor: | 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Presnell, S, Patil, G, Mura, C, Jude, K, Conley, J, Kam, C, Bertrand, J, Powers, J, Williams, L. | | Deposit date: | 1998-06-29 | | Release date: | 1998-12-02 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
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1BJU
 | | BETA-TRYPSIN COMPLEXED WITH ACPU | | Descriptor: | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Presnell, S, Patil, G, Mura, C, Jude, K, Conley, J, Kam, C, Bertrand, J, Powers, J, Williams, L. | | Deposit date: | 1998-06-29 | | Release date: | 1998-12-02 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
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1BN1
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | CARBONIC ANHYDRASE, MERCURY (II) ION, THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE), ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-31 | | Release date: | 1999-05-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BNQ
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | (R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-METHOYLETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1CED
 | | THE STRUCTURE OF CYTOCHROME C6 FROM MONORAPHIDIUM BRAUNII, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | CYTOCHROME C6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Banci, L, Bertini, I, Quacquarini, G, Walter, O, Diaz, A, Hervas, M, De La Rosa, M.A. | | Deposit date: | 1996-03-06 | | Release date: | 1996-08-17 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The solution structure of cytochrome c6 from the green alga Monoraphidium braunii
J.Biol.Inorg.Chem., 1, 1996
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1XXX
 | | Crystal structure of Dihydrodipicolinate Synthase (DapA, Rv2753c) from Mycobacterium tuberculosis | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, Dihydrodipicolinate synthase, ... | | Authors: | Kefala, G, Panjikar, S, Janowski, R, Weiss, M.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-11-09 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure and kinetic study of dihydrodipicolinate synthase from Mycobacterium tuberculosis.
Biochem.J., 411, 2008
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1BNT
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | 3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BML
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1DAT
 | | CUBIC CRYSTAL STRUCTURE RECOMBINANT HORSE L APOFERRITIN | | Descriptor: | CADMIUM ION, L FERRITIN | | Authors: | Gallois, B, Granier, T, Langlois D'Estaintot, B, Crichton, R.R, Roland, F. | | Deposit date: | 1996-11-14 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-ray structure of recombinant horse L-chain apoferritin at 2.0 angstrom resolution: Implications for stability and function.
J.Biol.Inorg.Chem., 2, 1997
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1Y2F
 | | Crystal Structure of ZipA with an inhibitor | | Descriptor: | 4-{2-[4-(2-AMINOETHYL)PIPERAZIN-1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-4-METHYLPHENYL)PYRIMIDIN-2-AMINE, Cell division protein zipA | | Authors: | Mosyak, L, Rush, T.S. | | Deposit date: | 2004-11-22 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction
J.Med.Chem., 48, 2005
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1AW1
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2AUZ
 | | Cathepsin K complexed with a semicarbazone inhibitor | | Descriptor: | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K, SULFATE ION | | Authors: | Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M. | | Deposit date: | 2005-08-29 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
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1B6I
 | | T4 LYSOZYME MUTANT WITH CYS 54 REPLACED BY THR, CYS 97 REPLACED BY ALA, THR 21 REPLACED BY CYS AND LYS 124 REPLACED BY CYS (C54T,C97A,T21C,K124C) | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, PROTEIN (LYSOZYME) | | Authors: | Vetter, I.R, Baase, W.A, Snow, S, Matthews, B.W. | | Deposit date: | 1999-01-14 | | Release date: | 2000-01-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Solid-state synthesis and mechanical unfolding of polymers of T4 lysozyme.
Proc.Natl.Acad.Sci.USA, 97, 2000
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