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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
1A4C
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BU of 1a4c by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 3.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS
Descriptor: AZURIN, COPPER (II) ION, NITRATE 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 (2.45 Å)
Cite:Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
1A85
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BU of 1a85 by Molmil
MMP8 WITH MALONIC AND ASPARAGINE BASED INHIBITOR
Descriptor: CALCIUM ION, MMP-8, N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide, ...
Authors:Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A.
Deposit date:1998-04-03
Release date:1999-04-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data.
Protein Sci., 7, 1998
1A4B
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BU of 1a4b by Molmil
AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 6.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS
Descriptor: AZURIN, COPPER (II) ION, SULFATE 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 (1.91 Å)
Cite:Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
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
1BQY
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BU of 1bqy by Molmil
Plasminogen activator (TSV-PA) from snake venom
Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, PLASMINOGEN ACTIVATOR
Authors:Parry, M.A.A, Bode, W.
Deposit date:1998-08-20
Release date:1999-08-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of the novel snake venom plasminogen activator TSV-PA: a prototype structure for snake venom serine proteinases.
Structure, 6, 1998
1AL6
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BU of 1al6 by Molmil
CHICKEN CITRATE SYNTHASE COMPLEX WITH N-HYDROXYAMIDO-COA AND OXALOACETATE
Descriptor: CITRATE SYNTHASE, N-HYDROXYAMIDOCARBOXYMETHYLDETHIA COENZYME *A, OXALOACETATE ION
Authors:Usher, K.C, Remington, S.J.
Deposit date:1997-06-12
Release date:1997-12-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanisms of Enzyme-Catalyzed Deprotonation of Acetyl-Coenzyme A
To be Published
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
4PAL
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BU of 4pal by Molmil
IONIC INTERACTIONS WITH PARVALBUMINS. CRYSTAL STRUCTURE DETERMINATION OF PIKE 4.10 PARVALBUMIN IN FOUR DIFFERENT IONIC ENVIRONMENTS
Descriptor: CALCIUM ION, MAGNESIUM ION, PARVALBUMIN
Authors:Declercq, J.P, Tinant, B, Parello, J, Rambaud, J.
Deposit date:1990-11-08
Release date:1992-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ionic interactions with parvalbumins. Crystal structure determination of pike 4.10 parvalbumin in four different ionic environments.
J.Mol.Biol., 220, 1991
1AYE
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BU of 1aye by Molmil
HUMAN PROCARBOXYPEPTIDASE A2
Descriptor: PROCARBOXYPEPTIDASE A2, ZINC ION
Authors:Garcia-Saez, I, Reverte, D, Vendrell, J, Aviles, F.X, Coll, M.
Deposit date:1997-11-03
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of human procarboxypeptidase A2. Deciphering the basis of the inhibition, activation and intrinsic activity of the zymogen.
EMBO J., 16, 1997
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
1XKA
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BU of 1xka by Molmil
FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Descriptor: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
Authors:Kamata, K, Kim, S.H.
Deposit date:1998-03-19
Release date:1999-03-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for chemical inhibition of human blood coagulation factor Xa.
Proc.Natl.Acad.Sci.USA, 95, 1998
4RCR
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BU of 4rcr by Molmil
STRUCTURE OF THE REACTION CENTER FROM RHODOBACTER SPHAEROIDES R-26 AND 2.4.1: PROTEIN-COFACTOR (BACTERIOCHLOROPHYLL, BACTERIOPHEOPHYTIN, AND CAROTENOID) INTERACTIONS
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Komiya, H, Yeates, T.O, Chirino, A.J, Rees, D.C, Allen, J.P, Feher, G.
Deposit date:1991-09-09
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the reaction center from Rhodobacter sphaeroides R-26 and 2.4.1: protein-cofactor (bacteriochlorophyll, bacteriopheophytin, and carotenoid) interactions.
Proc.Natl.Acad.Sci.USA, 85, 1988
1XKB
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BU of 1xkb by Molmil
FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Descriptor: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
Authors:Kamata, K, Kim, S.H.
Deposit date:1998-03-19
Release date:1999-03-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for chemical inhibition of human blood coagulation factor Xa.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BQB
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BU of 1bqb by Molmil
AUREOLYSIN, STAPHYLOCOCCUS AUREUS METALLOPROTEINASE
Descriptor: CALCIUM ION, PROTEIN (AUREOLYSIN), ZINC ION
Authors:Medrano, F.J, Banbula, A, Potempa, J, Travis, J, Bode, W.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Amino-acid sequence and three-dimensional structure of the Staphylococcus aureus metalloproteinase at 1.72 A resolution.
Structure, 6, 1998
1UMA
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BU of 1uma by Molmil
ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUDIN I, ...
Authors:Nardini, M, Pesce, A, Rizzi, M, Casale, E, Ferraccioli, R, Balliano, G, Milla, P, Ascenzi, P, Bolognesi, M.
Deposit date:1996-03-26
Release date:1996-11-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study.
J.Mol.Biol., 258, 1996
1ABI
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BU of 1abi 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), HIRULOG 3
Authors:Qiu, X, Tulinsky, A.
Deposit date:1992-08-24
Release date:1994-01-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors.
Biochemistry, 31, 1992
1A86
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BU of 1a86 by Molmil
MMP8 WITH MALONIC AND ASPARTIC ACID BASED INHIBITOR
Descriptor: CALCIUM ION, MMP-8, N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine, ...
Authors:Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A.
Deposit date:1998-04-03
Release date:1999-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data.
Protein Sci., 7, 1998
1AIN
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BU of 1ain by Molmil
CRYSTAL STRUCTURE OF HUMAN ANNEXIN I AT 2.5 ANGSTROMS RESOLUTION
Descriptor: ANNEXIN I, CALCIUM ION
Authors:Kim, S.-H.
Deposit date:1992-06-03
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human annexin I at 2.5 A resolution.
Protein Sci., 2, 1993
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:2024-06-05
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
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
1QA0
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BU of 1qa0 by Molmil
BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, TRYPSIN
Authors:Whitlow, M.
Deposit date:1999-04-09
Release date:2000-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1IAE
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BU of 1iae by Molmil
CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY
Descriptor: ASTACIN, NICKEL (II) ION
Authors:Grams, F, Stoecker, W, Bode, W.
Deposit date:1994-05-09
Release date:1994-08-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity.
J.Biol.Chem., 269, 1994
1IAA
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BU of 1iaa by Molmil
CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY
Descriptor: ASTACIN, COPPER (II) ION
Authors:Gomis-Rueth, F.-X, Stoecker, W, Bode, W.
Deposit date:1994-05-09
Release date:1994-08-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity.
J.Biol.Chem., 269, 1994

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