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1USN
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BU of 1usn by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372
Descriptor: 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE, CALCIUM ION, STROMELYSIN-1, ...
Authors:Finzel, B.C, Bryant Junior, G.L, Baldwin, E.T.
Deposit date:1998-06-09
Release date:1998-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
Protein Sci., 7, 1998
2CCY
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BU of 2ccy by Molmil
STRUCTURE OF FERRICYTOCHROME C(PRIME) FROM RHODOSPIRILLUM MOLISCHIANUM AT 1.67 ANGSTROMS RESOLUTION
Descriptor: CYTOCHROME C, HEME C
Authors:Finzel, B.C, Weber, P.C, Hardman, K.D, Salemme, F.R.
Deposit date:1985-08-27
Release date:1986-01-21
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure of ferricytochrome c' from Rhodospirillum molischianum at 1.67 A resolution.
J.Mol.Biol., 186, 1985
2CYP
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BU of 2cyp by Molmil
Crystal structure of yeast cytochrome C peroxidase refined at 1.7-angstroms resolution
Descriptor: CYTOCHROME C PEROXIDASE, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Finzel, B.C, Poulos, T.L, Kraut, J.
Deposit date:1985-08-27
Release date:1986-01-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of yeast cytochrome c peroxidase refined at 1.7-A resolution
J.Biol.Chem., 259, 1984
1I1B
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BU of 1i1b by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-1BETA AT 2.0 ANGSTROMS RESOLUTION
Descriptor: INTERLEUKIN-1 BETA
Authors:Finzel, B.C, Watenpaugh, K.D, Einspahr, H.M.
Deposit date:1989-12-05
Release date:1990-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of recombinant human interleukin-1 beta at 2.0 A resolution.
J.Mol.Biol., 209, 1989
4BP2
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BU of 4bp2 by Molmil
CRYSTALLOGRAPHIC REFINEMENT OF BOVINE PRO-PHOSPHOLIPASE A2 AT 1.6 ANGSTROMS RESOLUTION
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2
Authors:Finzel, B.C, Weber, P.C, Ohlendorf, D.H, Salemme, F.R.
Deposit date:1990-09-07
Release date:1991-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic refinement of bovine pro-phospholipase A2 at 1.6 A resolution.
Acta Crystallogr.,Sect.B, 47, 1991
2USN
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BU of 2usn by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-141803
Descriptor: CALCIUM ION, STROMELYSIN-1, ZINC ION, ...
Authors:Finzel, B.C, Bryant Junior, G.L, Baldwin, E.T.
Deposit date:1998-06-09
Release date:1998-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
Protein Sci., 7, 1998
4P2P
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BU of 4p2p by Molmil
AN INDEPENDENT CRYSTALLOGRAPHIC REFINEMENT OF PORCINE PHOSPHOLIPASE A2 AT 2.4 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Finzel, B.C, Ohlendorf, D.H, Weber, P.C, Salemme, F.R.
Deposit date:1991-10-22
Release date:1992-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An independent crystallographic refinement of porcine phospholipase A2 at 2.4 A resolution
Acta Crystallogr.,Sect.B, 47, 1991
4XJM
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BU of 4xjm by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Descriptor: 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Finzel, B.C, Dai, R.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University of Minnesota, 2015
4W1W
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BU of 4w1w by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one
Descriptor: 1,2-ETHANEDIOL, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Ran, D.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
4W1V
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BU of 4w1v by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor
Descriptor: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
4W1X
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BU of 4w1x by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone
Descriptor: 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
2IRT
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BU of 2irt by Molmil
INITIAL CRYSTALLOGRAPHIC ANALYSES OF A RECOMBINANT INTERLEUKIN-1 RECEPTOR ANTAGONIST PROTEIN
Descriptor: INTERLEUKIN-1 RECEPTOR ANTAGONIST
Authors:Finzel, B.C, Clancy, L.L, Einspahr, H.M.
Deposit date:1994-07-13
Release date:1994-10-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Initial crystallographic analysis of a recombinant human interleukin-1 receptor antagonist protein.
Acta Crystallogr.,Sect.D, 50, 1994
1RDH
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BU of 1rdh by Molmil
CRYSTALLOGRAPHIC ANALYSES OF AN ACTIVE HIV-1 RIBONUCLEASE H DOMAIN SHOW STRUCTURAL FEATURES THAT DISTINGUISH IT FROM THE INACTIVE FORM
Descriptor: HIV-1 REVERSE TRANSCRIPTASE (RIBONUCLEASE H DOMAIN)
Authors:Finzel, B.C, Chattopadhyay, D, Einspahr, H.M.
Deposit date:1993-03-05
Release date:1994-05-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic analyses of an active HIV-1 ribonuclease H domain show structural features that distinguish it from the inactive form.
Acta Crystallogr.,Sect.D, 49, 1993
4MQQ
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BU of 4mqq by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with benzo[d]thiazole-2-carbohydrazide
Descriptor: (4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2013-09-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4MQR
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BU of 4mqr by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with E)-5-hydroxy-4-(((Z)-isonicotinoyldiazenyl)methylene)-6-methyl-1,4-dihydropyridin-3-yl)methyl phosphate
Descriptor: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, [(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate
Authors:Finzel, B.C, Dai, R.
Deposit date:2013-09-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4MQP
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BU of 4mqp by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole
Descriptor: (4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2013-09-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
4WYC
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BU of 4wyc by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole benzamide inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(1H-imidazol-1-yl)benzamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R, Geders, T.W.
Deposit date:2014-11-17
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4WYA
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BU of 4wya by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a fragment hit
Descriptor: 5-(pyridin-2-yl)thiophene-2-carboxamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Finzel, B.C, Dai, D, Geders, T.W.
Deposit date:2014-11-17
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4XJO
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BU of 4xjo by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead
Descriptor: 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
4XJP
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BU of 4xjp by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead
Descriptor: 1,2-ETHANEDIOL, 1-{4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
4XEW
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BU of 4xew by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Descriptor: 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Finzel, B.C, Dai, R.
Deposit date:2014-12-25
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
6UPJ
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BU of 6upj by Molmil
HIV-2 PROTEASE/U99294 COMPLEX
Descriptor: 6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE, HIV-2 PROTEASE
Authors:Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C.
Deposit date:1996-12-10
Release date:1997-04-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors.
J.Med.Chem., 38, 1995
4WF6
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BU of 4wf6 by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor MK-31
Descriptor: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ...
Authors:Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
Deposit date:2014-09-12
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6521 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
5TE2
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BU of 5te2 by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a mechanism-based inhibitor
Descriptor: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Maize, K.M, Eiden, C, Aldrich, C.C, Finzel, B.C.
Deposit date:2016-09-20
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational Optimization of Mechanism-Based Inhibitors through Determination of the Microscopic Rate Constants of Inactivation.
J. Am. Chem. Soc., 139, 2017
5UPJ
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BU of 5upj by Molmil
HIV-2 PROTEASE/U99283 COMPLEX
Descriptor: 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE, HIV-2 PROTEASE
Authors:Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C.
Deposit date:1996-12-10
Release date:1997-04-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors.
J.Med.Chem., 38, 1995

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