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2OE2
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BU of 2oe2 by Molmil
MSrecA-native-low humidity 95%
Descriptor: PHOSPHATE ION, Protein recA
Authors:Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2006-12-28
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
2OEP
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BU of 2oep by Molmil
MSrecA-ADP-complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Protein recA
Authors:Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2006-12-31
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
2OFO
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BU of 2ofo by Molmil
MSrecA-native
Descriptor: PHOSPHATE ION, Protein recA
Authors:Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2007-01-04
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
2ODW
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BU of 2odw by Molmil
MSrecA-ATP-GAMA-S complex
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein recA
Authors:Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2006-12-27
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
2ODN
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BU of 2odn by Molmil
MSRECA-dATP complex
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Protein recA
Authors:Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2006-12-24
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
2OES
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BU of 2oes by Molmil
MSrecA-native-SSB
Descriptor: PHOSPHATE ION, Protein recA
Authors:Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2007-01-01
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
2G88
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BU of 2g88 by Molmil
MSRECA-dATP COMPLEX
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ...
Authors:Krishna, R, Manjunath, G.P, Kumar, P, Surolia, A, Chandra, N.R, Muniyappa, K, Vijayan, M.
Deposit date:2006-03-02
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystallographic identification of an ordered C-terminal domain and a second nucleotide-binding site in RecA: new insights into allostery.
Nucleic Acids Res., 34, 2006
1ZZZ
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BU of 1zzz by Molmil
Trypsin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-06-02
Release date:1999-06-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1C4V
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BU of 1c4v by Molmil
SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES.
Descriptor: 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A.
Deposit date:1999-09-25
Release date:2000-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
1C4U
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BU of 1c4u by Molmil
SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES.
Descriptor: 2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, PROTEIN (HIRUGEN), SODIUM ION, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A.
Deposit date:1999-09-25
Release date:2000-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
1C4Y
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BU of 1c4y by Molmil
SELECTIVE NON-ELECTROPHILIC THROMBIN INHIBITORS
Descriptor: 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID [4-(2-AMINO-3H-IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE, HIRUGEN, THROMBIN:LONG CHAIN, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A.
Deposit date:1999-10-05
Release date:2000-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
1BA8
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BU of 1ba8 by Molmil
THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-23
Release date:1999-04-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1B5L
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BU of 1b5l by Molmil
OVINE INTERFERON TAU
Descriptor: INTERFERON TAU, SULFATE ION
Authors:Radhakrishnan, R, Walter, L.J, Subramaniam, P.S, Johnson, H.J, Walter, M.R.
Deposit date:1999-01-07
Release date:1999-05-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of ovine interferon-tau at 2.1 A resolution.
J.Mol.Biol., 286, 1999
1BB0
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BU of 1bb0 by Molmil
THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-28
Release date:1999-04-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1CA8
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BU of 1ca8 by Molmil
Thrombin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-27
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes
Biochemistry, 37, 1998
1D9I
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BU of 1d9i by Molmil
STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTOPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1
Descriptor: (5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R, Tulinsky, A.
Deposit date:1999-10-27
Release date:2000-10-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
4DRK
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BU of 4drk by Molmil
EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F.
Deposit date:2012-02-17
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
4DRO
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BU of 4dro by Molmil
EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH (1R)-3-(3,4-dimethoxyphenyl)-1-phenylpropyl (2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidine-2-carboxylate
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F.
Deposit date:2012-02-17
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
4DRQ
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BU of 4drq by Molmil
Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S.
Deposit date:2012-02-17
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
4DRN
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BU of 4drn by Molmil
EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F.
Deposit date:2012-02-17
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
4DRM
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BU of 4drm by Molmil
EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F.
Deposit date:2012-02-17
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
4DRP
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BU of 4drp by Molmil
Evaluation of Synthetic FK506 Analogs as Ligands for the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1R,2S)-2-ethyl-1-hydroxy-cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid from cocrystallization
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
Authors:Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F.
Deposit date:2012-02-17
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
1YYY
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BU of 1yyy by Molmil
Trypsin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-06-03
Release date:1999-06-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1DM4
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BU of 1dm4 by Molmil
SER195ALA MUTANT OF HUMAN THROMBIN COMPLEXED WITH FIBRINOPEPTIDE A (7-16)
Descriptor: PROTEIN (ALPHA THROMBIN:LIGHT CHAIN), PROTEIN (FIBRINOPEPTIDE), PROTEIN (MUTANT ALPHA THROMBIN:HEAVY CHAIN)
Authors:Krishnan, R, Sadler, E.J, Tulinsky, A.
Deposit date:1999-12-13
Release date:2000-01-19
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Ser195Ala mutant of human alpha--thrombin complexed with fibrinopeptide A(7--16): evidence for residual catalytic activity.
Acta Crystallogr.,Sect.D, 56, 2000
9EST
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BU of 9est by Molmil
STRUCTURAL STUDY OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH 7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOUMARIN AS A NONREACTIVATABLE DOUBLY COVALENT ENZYME-INHIBITOR COMPLEX
Descriptor: (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ...
Authors:Radhakrishnan, R, Powers, J.C, Meyer Jr, E.F.
Deposit date:1991-01-14
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural study of porcine pancreatic elastase complexed with 7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin as a nonreactivatable doubly covalent enzyme-inhibitor complex.
Biochemistry, 30, 1991

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