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1CSB
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BU of 1csb by Molmil
Crystal structure of cathepsin b inhibited with CA030 at 2.1 angstroms resolution: A basis for the design of specific epoxysuccinyl inhibitors
Descriptor: CATHEPSIN B heavy chain, CATHEPSIN B light chain, N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline
Authors:Turk, D, Bode, W.
Deposit date:1994-12-09
Release date:1996-04-03
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of cathepsin B inhibited with CA030 at 2.0-A resolution: A basis for the design of specific epoxysuccinyl inhibitors.
Biochemistry, 34, 1995
1CSI
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BU of 1csi by Molmil
A very short hydrogen bond provides only moderate stabilization of an enzyme: inhibitor complex of citrate synthase
Descriptor: CARBOXYMETHYLDETHIA COENZYME *A, CITRATE SYNTHASE, OXALOACETATE ION
Authors:Usher, K.C, Remington, S.J.
Deposit date:1994-03-07
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A very short hydrogen bond provides only moderate stabilization of an enzyme-inhibitor complex of citrate synthase.
Biochemistry, 33, 1994
1CSC
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BU of 1csc by Molmil
Structure of ternary complexes of citrate synthase with D-and L-malate: Mechanistic implications
Descriptor: (2S)-2-hydroxybutanedioic acid, CARBOXYMETHYL COENZYME *A, CITRATE SYNTHASE
Authors:Karpusas, M, Holland, D, Remington, S.J.
Deposit date:1990-05-07
Release date:1991-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Biochemistry, 30, 1991
1CSH
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BU of 1csh by Molmil
A very short hydrogen bond provides only moderate stabilization of an enzyme: inhibitor complex of citrate synthase
Descriptor: AMIDOCARBOXYMETHYLDETHIA COENZYME *A, CITRATE SYNTHASE, OXALOACETATE ION
Authors:Usher, K.C, Remington, S.J.
Deposit date:1994-03-07
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A very short hydrogen bond provides only moderate stabilization of an enzyme-inhibitor complex of citrate synthase.
Biochemistry, 33, 1994
1CS1
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BU of 1cs1 by Molmil
CYSTATHIONINE GAMMA-SYNTHASE (CGS) FROM ESCHERICHIA COLI
Descriptor: 2,4-DIOXO-PENTANEDIOIC ACID, PROTEIN (CYSTATHIONINE GAMMA-SYNTHASE)
Authors:Clausen, T, Messerschmidt, A.
Deposit date:1998-09-23
Release date:1999-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Escherichia coli cystathionine gamma-synthase at 1.5 A resolution.
EMBO J., 17, 1998
1DO0
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BU of 1do0 by Molmil
ORTHORHOMBIC CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (HEAT SHOCK LOCUS U), ...
Authors:Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D.
Deposit date:1999-12-18
Release date:2000-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000
1BPT
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BU of 1bpt by Molmil
CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Housset, D, Wlodawer, A, Tao, F, Fuchs, J, Woodward, C.
Deposit date:1991-12-11
Release date:1993-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
1BKC
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BU of 1bkc by Molmil
CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE)
Descriptor: N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TUMOR NECROSIS FACTOR-ALPHA-CONVERTING ENZYME, ZINC ION
Authors:Maskos, K, Fernandez-Catalan, C, Bode, W.
Deposit date:1998-04-23
Release date:1999-06-22
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the catalytic domain of human tumor necrosis factor-alpha-converting enzyme.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BTI
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BU of 1bti by Molmil
CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Housset, D, Tao, F, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
Deposit date:1991-07-11
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
5GDS
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BU of 5gds by Molmil
HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM V
Authors:De Simone, G, Lombardi, A, Galdiero, S, Nastri, F, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V.
Deposit date:1997-07-17
Release date:1998-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex.
Protein Sci., 7, 1998
1AI8
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BU of 1ai8 by Molmil
HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIB, ...
Authors:Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J.
Deposit date:1997-05-01
Release date:1997-10-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Protein Sci., 1, 1992
1CVR
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BU of 1cvr by Molmil
Crystal structure of the Arg specific cysteine proteinase gingipain R (RGPB)
Descriptor: CALCIUM ION, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide, GINGIPAIN R, ...
Authors:Eichinger, A, Beisel, H.-G.
Deposit date:1999-08-24
Release date:2000-03-01
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of gingipain R: an Arg-specific bacterial cysteine proteinase with a caspase-like fold.
EMBO J., 18, 1999
1B1U
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BU of 1b1u by Molmil
CRYSTAL STRUCTURE OF THE BIFUNCTIONAL INHIBITOR RAGI
Descriptor: PROTEIN (ALPHA-AMYLASE/TRYPSIN INHIBITOR RATI)
Authors:Gourinath, S, Srinivasan, A, Singh, T.P.
Deposit date:1998-11-23
Release date:1998-12-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the bifunctional inhibitor of trypsin and alpha-amylase from ragi seeds at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
1CSS
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BU of 1css by Molmil
ALPHA-FLUORO ACID AND ALPHA-FLUORO AMIDE ANALOGS OF ACETYL-COA AS INHIBITORS OF OF CITRATE SYNTHASE: EFFECT OF PKA MATCHING ON BINDING AFFINITY AND HYDROGEN BOND LENGTH
Descriptor: ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX, CITRATE SYNTHASE, OXALOACETATE ION
Authors:Usher, K.C, Remington, S.J.
Deposit date:1995-08-04
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:alpha-Fluoro acid and alpha-fluoro amide analogs of acetyl-CoA as inhibitors of citrate synthase: effect of pKa matching on binding affinity and hydrogen bond length.
Biochemistry, 34, 1995
1CSR
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BU of 1csr by Molmil
Alpha-fluoro acid and alpha-fluoro amide analogs of acetyl-coa as inhibitors of of citrate synthase: effect of pka matching on binding affinity and hydrogen bond length
Descriptor: ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHIA COENZYME A COMPLEX, CITRATE SYNTHASE, OXALOACETATE ION
Authors:Usher, K.C, Remington, S.J.
Deposit date:1995-08-04
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:alpha-Fluoro acid and alpha-fluoro amide analogs of acetyl-CoA as inhibitors of citrate synthase: effect of pKa matching on binding affinity and hydrogen bond length.
Biochemistry, 34, 1995
1CGH
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BU of 1cgh by Molmil
Human cathepsin G
Descriptor: CATHEPSIN G, N-(3-carboxypropanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-L-prolinamide
Authors:Hof, P, Bode, W.
Deposit date:1996-06-26
Release date:1997-07-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8 A crystal structure of human cathepsin G in complex with Suc-Val-Pro-PheP-(OPh)2: a Janus-faced proteinase with two opposite specificities.
EMBO J., 15, 1996
5GSS
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BU of 5gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1
Authors:Oakley, A, Parker, M.
Deposit date:1997-08-11
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
1A90
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BU of 1a90 by Molmil
RECOMBINANT MUTANT CHICKEN EGG WHITE CYSTATIN, NMR, 31 STRUCTURES
Descriptor: CYSTATIN
Authors:Dieckmann, T, Mitschang, L, Hofmann, M, Kos, J, Turk, V, Auerswald, E.A, Jaenicke, R, Oschkinat, H.
Deposit date:1998-04-14
Release date:1998-06-17
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The structures of native phosphorylated chicken cystatin and of a recombinant unphosphorylated variant in solution.
J.Mol.Biol., 234, 1993
1A67
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BU of 1a67 by Molmil
CHICKEN EGG WHITE CYSTATIN WILDTYPE, NMR, 16 STRUCTURES
Descriptor: CYSTATIN
Authors:Dieckmann, T, Mitschang, L, Hofmann, M, Kos, J, Turk, V, Auerswald, E.A, Jaenicke, R, Oschkinat, H.
Deposit date:1998-03-06
Release date:1998-05-27
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The structures of native phosphorylated chicken cystatin and of a recombinant unphosphorylated variant in solution.
J.Mol.Biol., 234, 1993
1AZ8
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BU of 1az8 by Molmil
BOVINE TRYPSIN COMPLEXED TO BIS-PHENYLAMIDINE INHIBITOR
Descriptor: +/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE, TRYPSIN
Authors:Alexander, R, Smallwood, A.
Deposit date:1997-11-26
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unexpected Binding Mode of a Bis-Phenylamidine Factor Xa Inhibitor Complexed to Bovine Trypsin
To be Published
1BHC
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BU of 1bhc by Molmil
BOVINE PANCREATIC TRYPSIN INHIBITOR CRYSTALLIZED FROM THIOCYANATE
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, THIOCYANATE ION
Authors:Hamiaux, C, Prange, T.
Deposit date:1998-06-05
Release date:1998-09-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The decameric structure of bovine pancreatic trypsin inhibitor (BPTI) crystallized from thiocyanate at 2.7 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1A2C
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BU of 1a2c by Molmil
Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA
Descriptor: Aeruginosin 298-A, Hirudin variant-2, SODIUM ION, ...
Authors:Rios-Steiner, J.L, Murakami, M, Tulinsky, A.
Deposit date:1997-12-26
Release date:1998-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Thrombin Inhibited by Aeruginosin 298-A from a Blue-Green Alga
J.Am.Chem.Soc., 120, 1998
1A4A
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BU of 1a4a by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 6.5 CRYSTAL FORM, DATA COLLECTED AT 16 DEGREES CELSIUS
Descriptor: AZURIN, COPPER (II) ION
Authors:Messerschmidt, A, Prade, L.
Deposit date:1998-01-28
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
1AMZ
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BU of 1amz by Molmil
CHICKEN CITRATE SYNTHASE COMPLEX WITH NITROMETHYLDE-COA AND MALATE
Descriptor: CITRATE SYNTHASE, D-MALATE, NITROMETHYLDETHIA COENZYME A
Authors:Usher, K.C, Remington, S.J.
Deposit date:1997-06-19
Release date:1997-12-24
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanisms of Enzyme-Catalyzed Deprotonation of Acetyl-Coenzyme A
To be Published
1ABJ
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BU of 1abj by Molmil
STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Qiu, X, Tulinsky, A.
Deposit date:1992-08-24
Release date:1994-01-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors.
Biochemistry, 31, 1992

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