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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
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
2TBS
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BU of 2tbs by Molmil
COLD-ADAPTION OF ENZYMES: STRUCTURAL COMPARISON BETWEEN SALMON AND BOVINE TRYPSINS
Descriptor: BENZAMIDINE, CALCIUM ION, TRYPSIN
Authors:Smalas, A.O.
Deposit date:1994-01-14
Release date:1994-04-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cold adaption of enzymes: structural comparison between salmon and bovine trypsins.
Proteins, 20, 1994
3PTB
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BU of 3ptb by Molmil
THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS
Descriptor: BENZAMIDINE, BETA-TRYPSIN, CALCIUM ION
Authors:Bode, W, Schwager, P, Walter, J.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
1QB1
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BU of 1qb1 by Molmil
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
Descriptor: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-28
Release date:2000-04-29
Last modified:2018-01-24
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
2E80
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BU of 2e80 by Molmil
Cytochrome c Nitrite Reductase from Wolinella succinogenes with bound substrate nitrite
Descriptor: ACETATE ION, CALCIUM ION, Cytochrome c-552, ...
Authors:Einsle, O, Kroneck, P.M.H.
Deposit date:2007-01-15
Release date:2007-01-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanism of the six-electron reduction of nitrite to ammonia by cytochrome c nitrite reductase
J.Am.Chem.Soc., 124, 2002
2E81
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Cytochrome c Nitrite Reductase from Wolinella succinogenes with bound intermediate hydroxylamine
Descriptor: CALCIUM ION, Cytochrome c-552, HYDROXYAMINE, ...
Authors:Einsle, O, Kroneck, P.M.H.
Deposit date:2007-01-15
Release date:2007-01-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of the six-electron reduction of nitrite to ammonia by cytochrome c nitrite reductase
J.Am.Chem.Soc., 124, 2002
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
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
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:2024-06-05
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
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
2OEG
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BU of 2oeg by Molmil
Open and Closed Structures of the UDP-Glucose Pyrophosphorylase from Leishmania major
Descriptor: URIDINE-5'-DIPHOSPHATE-GLUCOSE, UTP-glucose-1-phosphate uridylyltransferase 2, putative
Authors:Steiner, T.
Deposit date:2006-12-29
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Open and Closed Structures of the UDP-glucose Pyrophosphorylase from Leishmania major.
J.Biol.Chem., 282, 2007
2OEF
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BU of 2oef by Molmil
Open and Closed Structures of the UDP-Glucose Pyrophosphorylase from Leishmania major
Descriptor: SULFATE ION, UTP-glucose-1-phosphate uridylyltransferase 2, putative
Authors:Steiner, T.
Deposit date:2006-12-29
Release date:2007-02-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Open and Closed Structures of the UDP-glucose Pyrophosphorylase from Leishmania major.
J.Biol.Chem., 282, 2007
2OVX
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BU of 2ovx by Molmil
MMP-9 active site mutant with barbiturate inhibitor
Descriptor: 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE, CALCIUM ION, CHLORIDE ION, ...
Authors:Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
Deposit date:2007-02-15
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
2OW1
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MMP-9 active site mutant with trifluoromethyl hydroxamate inhibitor
Descriptor: (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE, CALCIUM ION, CHLORIDE ION, ...
Authors:Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
Deposit date:2007-02-15
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
2OVZ
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BU of 2ovz by Molmil
MMP-9 active site mutant with phosphinate inhibitor
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (EC 3.4.24.35) (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ...
Authors:Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
Deposit date:2007-02-15
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
2OW2
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BU of 2ow2 by Molmil
MMP-9 active site mutant with difluoro butanoic acid inhibitor
Descriptor: (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
Deposit date:2007-02-15
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
3PGT
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BU of 3pgt by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1[I104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ...
Authors:Ji, X, Xiao, B.
Deposit date:1999-03-22
Release date:1999-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
2HGT
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BU of 2hgt by Molmil
STRUCTURE OF THE HIRUGEN AND HIRULOG 1 COMPLEXES OF ALPHA-THROMBIN
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), Hirulog
Authors:Tulinsky, A, Carperos, V.
Deposit date:1991-06-03
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the hirugen and hirulog 1 complexes of alpha-thrombin.
J.Mol.Biol., 221, 1991
1QBN
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BU of 1qbn by Molmil
Bovine Trypsin 2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic Acid (ZK-806688) Complex
Descriptor: 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-25
Release date:2000-05-03
Last modified:2011-07-13
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
1QB6
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BU of 1qb6 by Molmil
BOVINE TRYPSIN 3,3'-[3,5-DIFLUORO-4-METHYL-2, 6-PYRIDINEDIYLBIS(OXY)]BIS(BENZENECARBOXIMIDAMIDE) (ZK-805623) COMPLEX
Descriptor: 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE), CALCIUM ION, POTASSIUM ION, ...
Authors:Whitlow, M.
Deposit date:1999-04-29
Release date:2000-04-29
Last modified:2011-07-13
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
2JBL
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BU of 2jbl by Molmil
PHOTOSYNTHETIC REACTION CENTER FROM BLASTOCHLORIS VIRIDIS
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Lancaster, C.R.D.
Deposit date:2006-12-08
Release date:2007-03-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Comparison of Stigmatellin Conformations, Free and Bound to the Photosynthetic Reaction Center and the Cytochrome Bc(1) Complex.
J.Mol.Biol., 368, 2007
2BDI
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BU of 2bdi by Molmil
Human Kallikrein 4 complex with cobalt and p-aminobenzamidine
Descriptor: COBALT (II) ION, Kallikrein-4, P-AMINO BENZAMIDINE
Authors:Debela, M, Bode, W, Goettig, P, Structural Proteomics in Europe (SPINE)
Deposit date:2005-10-20
Release date:2006-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site.
J.Mol.Biol., 362, 2006
2BDH
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Human Kallikrein 4 complex with zinc and p-aminobenzamidine
Descriptor: Kallikrein-4, P-AMINO BENZAMIDINE, ZINC ION
Authors:Debela, M, Bode, W, Goettig, P, Structural Proteomics in Europe (SPINE)
Deposit date:2005-10-20
Release date:2006-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site.
J.Mol.Biol., 362, 2006

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