1AUJ
| BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR | Descriptor: | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID, CALCIUM ION, TRYPSIN | Authors: | Alexander, R, Smallwood, A, Kettner, C. | Deposit date: | 1997-08-28 | Release date: | 1998-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New inhibitors of thrombin and other trypsin-like proteases: hydrogen bonding of an aromatic cyano group with a backbone amide of the P1 binding site replaces binding of a basic side chain. Biochemistry, 36, 1997
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5FPY
| Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site. | Descriptor: | 5-bromo-1-methyl-1H-indole-2-carboxylic acid, SERINE PROTEASE NS3 | Authors: | Davies, T.G, Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-12-03 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5FPS
| Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 3-aminobenzene-1,2-dicarboxylic acid (AT1246) in an alternate binding site. | Descriptor: | 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX | Authors: | Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Williams, P.A. | Deposit date: | 2015-12-02 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5FPT
| Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 2-(1-methyl-1H-indol-3-yl)acetic acid (AT3437) in an alternate binding site. | Descriptor: | (1-methyl-1H-indol-3-yl)acetic acid, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX | Authors: | Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Pathuri, P, Williams, P.A. | Deposit date: | 2015-12-02 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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1CGO
| CYTOCHROME C' | Descriptor: | CYTOCHROME C, HEME C | Authors: | Dobbs, A.J, Faber, H.R, Anderson, B.F, Baker, E.N. | Deposit date: | 1995-05-01 | Release date: | 1995-07-31 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of cytochrome c' from two Alcaligenes species and the implications for four-helix bundle structures. Acta Crystallogr.,Sect.D, 52, 1996
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1CGN
| CYTOCHROME C' | Descriptor: | CYTOCHROME C, HEME C | Authors: | Dobbs, A.J, Faber, H.R, Anderson, B.F, Baker, E.N. | Deposit date: | 1995-05-01 | Release date: | 1995-07-31 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Three-dimensional structure of cytochrome c' from two Alcaligenes species and the implications for four-helix bundle structures. Acta Crystallogr.,Sect.D, 52, 1996
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3PCG
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH THE INHIBITOR 4-HYDROXYPHENYLACETATE | Descriptor: | 4-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-29 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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3PCE
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYPHENYLACETATE | Descriptor: | 3-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-29 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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3PCC
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 4-HYDROXYBENZOATE | Descriptor: | BETA-MERCAPTOETHANOL, FE (III) ION, P-HYDROXYBENZOIC ACID, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-29 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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3PCB
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYBENZOATE | Descriptor: | 3-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-25 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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1GDR
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1RCE
| BULLFROG RED CELL L FERRITIN SULFATE/MN/PH 6.3 | Descriptor: | L FERRITIN, TRIMETHYL GLYCINE | Authors: | Trikha, J, Theil, E.C, Allewell, N.M. | Deposit date: | 1995-08-04 | Release date: | 1995-11-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High resolution crystal structures of amphibian red-cell L ferritin: potential roles for structural plasticity and solvation in function. J.Mol.Biol., 248, 1995
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1RCC
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1RCI
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1RCG
| BULLFROG RED CELL L FERRITIN SULFATE/MN/PH 6.3 | Descriptor: | L FERRITIN, TRIMETHYL GLYCINE | Authors: | Trikha, J, Theil, E.C, Allewell, N.M. | Deposit date: | 1995-08-04 | Release date: | 1995-11-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High resolution crystal structures of amphibian red-cell L ferritin: potential roles for structural plasticity and solvation in function. J.Mol.Biol., 248, 1995
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1RCD
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3PCD
| PROTOCATECHUATE 3,4-DIOXYGENASE Y447H MUTANT | Descriptor: | BETA-MERCAPTOETHANOL, CARBONATE ION, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-11-24 | Release date: | 1998-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The axial tyrosinate Fe3+ ligand in protocatechuate 3,4-dioxygenase influences substrate binding and product release: evidence for new reaction cycle intermediates. Biochemistry, 37, 1998
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3PCN
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3,4-DIHYDROXYPHENYLACETATE | Descriptor: | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-08-19 | Release date: | 1998-02-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure and resonance Raman studies of protocatechuate 3,4-dioxygenase complexed with 3,4-dihydroxyphenylacetate. Biochemistry, 36, 1997
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3PCM
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 6-HYDROXYNICOTINIC ACID N-OXIDE AND CYANIDE | Descriptor: | 6-HYDROXYISONICOTINIC ACID N-OXIDE, CYANIDE ION, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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3PCA
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3,4-DIHYDROXYBENZOATE | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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3PCI
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-IODO-4-HYDROXYBENZOATE | Descriptor: | 3-IODO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-02 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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3PCK
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 6-HYDROXYNICOTINIC ACID N-OXIDE | Descriptor: | 6-HYDROXYISONICOTINIC ACID N-OXIDE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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3PCH
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-CHLORO-4-HYDROXYBENZOATE | Descriptor: | 3-CHLORO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-01 | Release date: | 1998-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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3PCJ
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 2-HYDROXYISONICOTINIC ACID N-OXIDE | Descriptor: | 2-HYDROXYISONICOTINIC ACID N-OXIDE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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3PCL
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 2-HYDROXYISONICOTINIC ACID N-OXIDE AND CYANIDE | Descriptor: | 2-HYDROXYISONICOTINIC ACID N-OXIDE, CYANIDE ION, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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