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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
1J15
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BU of 1j15 by Molmil
BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:2002-11-30
Release date:2002-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
1J16
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BU of 1j16 by Molmil
BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:2002-11-30
Release date:2002-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
1IQH
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BU of 1iqh by Molmil
Human coagulation factor Xa in complex with M55143
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQK
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BU of 1iqk by Molmil
Human coagulation factor Xa in complex with M55113
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQI
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BU of 1iqi by Molmil
Human coagulation factor Xa in complex with M55125
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1J17
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BU of 1j17 by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT
Descriptor: CALCIUM ION, SULFATE ION, Trypsin II, ...
Authors:Stubbs, M.T.
Deposit date:2002-11-30
Release date:2002-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
1J14
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BU of 1j14 by Molmil
BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT
Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:2002-11-30
Release date:2002-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
1DIT
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BU of 1dit by Molmil
COMPLEX OF A DIVALENT INHIBITOR WITH THROMBIN
Descriptor: ALPHA-THROMBIN, PEPTIDE INHIBITOR CVS995
Authors:Tulinsky, A, Krishnan, R.
Deposit date:1995-07-20
Release date:1996-06-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis, structure, and structure-activity relationships of divalent thrombin inhibitors containing an alpha-keto-amide transition-state mimetic.
Protein Sci., 5, 1996
1E0R
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BU of 1e0r by Molmil
Beta-apical domain of thermosome
Descriptor: THERMOSOME
Authors:Bosch, G, Baumeister, W, Essen, L.-O.
Deposit date:2000-04-06
Release date:2000-08-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Beta-Apical Domain from Thermosome Reveals Structural Plasticity in Protrusion Region
J.Mol.Biol., 301, 2000
1IOE
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BU of 1ioe by Molmil
Human coagulation factor Xa in complex with M55532
Descriptor: (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE, CALCIUM ION, COAGULATION FACTOR XA
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-03-08
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Factor Xa Specific Inhibitor That Induces the Novel Binding Model In Complex With Human FXa
To be Published
1QL8
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BU of 1ql8 by Molmil
FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: CALCIUM ION, SULFATE ION, TRYPSIN, ...
Authors:Stubbs, M.T.
Deposit date:1999-08-24
Release date:2000-08-25
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
1K1O
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BU of 1k1o by Molmil
BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor: CALCIUM ION, TRYPSIN, {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K22
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BU of 1k22 by Molmil
HUMAN THROMBIN-INHIBITOR COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ...
Authors:Stubbs, M.T, Musil, D.
Deposit date:2001-09-26
Release date:2002-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1I
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BU of 1k1i by Molmil
BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor: CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID, TRYPSIN
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1L
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BU of 1k1l by Molmil
BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor: CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDINO-L-PHENYLALANINE PIPERAZIDE, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1DXR
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BU of 1dxr by Molmil
Photosynthetic reaction center from Rhodopseudomonas viridis - His L168 Phe mutant (terbutryn complex)
Descriptor: 15-cis-1,2-dihydroneurosporene, 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE, BACTERIOCHLOROPHYLL B, ...
Authors:Lancaster, C.R.D, Bibikova, M, Sabatino, P, Oesterhelt, D, Michel, H.
Deposit date:2000-01-15
Release date:2001-01-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the drastically increased initial electron transfer rate in the reaction center from a Rhodopseudomonas viridis mutant described at 2.00-A resolution.
J. Biol. Chem., 275, 2000
1K1N
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BU of 1k1n by Molmil
BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor: CALCIUM ION, TRYPSIN, [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1H0H
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BU of 1h0h by Molmil
Tungsten containing Formate Dehydrogenase from Desulfovibrio Gigas
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Raaijmakers, H.C.A.
Deposit date:2002-06-19
Release date:2003-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gene Sequence and the 1.8 A Crystal Structure of the Tungsten-Containing Formate Dehydrogenase from Desulfovibrio Gigas
Structure, 10, 2002
1GUH
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BU of 1guh by Molmil
Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the MU and PI class enzymes
Descriptor: GLUTATHIONE S-TRANSFERASE A1-1, S-BENZYL-GLUTATHIONE
Authors:Sinning, I, Kleywegt, G.J, Jones, T.A.
Deposit date:1993-02-24
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the Mu and Pi class enzymes.
J.Mol.Biol., 232, 1993
1HCG
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BU of 1hcg by Molmil
STRUCTURE OF HUMAN DES(1-45) FACTOR XA AT 2.2 ANGSTROMS RESOLUTION
Descriptor: BLOOD COAGULATION FACTOR XA
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1993-05-05
Release date:1995-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human des(1-45) factor Xa at 2.2 A resolution.
J.Mol.Biol., 232, 1993
1K1P
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BU of 1k1p by Molmil
BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor: CALCIUM ION, TRYPSIN, [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1J
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BU of 1k1j by Molmil
BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor: CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K1M
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BU of 1k1m by Molmil
BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor: CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE, SULFATE ION, ...
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
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

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