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8PX8
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BU of 8px8 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-5-(1-((1-acetylpiperidin-3-yl)methyl)-5-bromo-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, ...
Authors:Chung, C.W.
Deposit date:2023-07-22
Release date:2023-10-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023
8PND
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BU of 8pnd by Molmil
The ES3 intermediate of hydroxymethylbilane synthase R167Q variant
Descriptor: 1,2-ETHANEDIOL, 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, ...
Authors:Saeter, M.C, Bustad, H.J, Laitaoja, M, Janis, J, Martinez, A, Aarsand, A.K, Kallio, J.P.
Deposit date:2023-06-30
Release date:2023-11-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:One ring closer to a closure: the crystal structure of the ES 3 hydroxymethylbilane synthase intermediate.
Febs J., 291, 2024
1P6D
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BU of 1p6d by Molmil
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH (3S)-3,4,DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE
Descriptor: (3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE, PHOSPHOLIPASE C, ZINC ION
Authors:Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
Deposit date:2003-04-29
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
3U87
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BU of 3u87 by Molmil
Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue
Descriptor: CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Niefind, K, Raaf, J, Issinger, O.-G, Olsen, B.
Deposit date:2011-10-16
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias.
Acta Crystallogr.,Sect.D, 68, 2012
1JU5
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BU of 1ju5 by Molmil
Ternary complex of an Crk SH2 domain, Crk-derived phophopeptide, and Abl SH3 domain by NMR spectroscopy
Descriptor: Abl, Crk
Authors:Donaldson, L.W, Pawson, T, Kay, L.E, Forman-Kay, J.D.
Deposit date:2001-08-23
Release date:2002-11-06
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structure of a regulatory complex involving the Abl SH3 domain, the Crk SH2 domain, and a Crk-derived phosphopeptide
Proc.Natl.Acad.Sci.USA, 99, 2002
3U2Z
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BU of 3u2z by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-10-04
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
1OUG
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BU of 1oug by Molmil
CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: X-RAY STRUCTURE OF THE V2A MUTANT
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Fujii, S, Yutani, K.
Deposit date:1996-08-23
Release date:1997-02-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the hydrophobic effect to the stability of human lysozyme: calorimetric studies and X-ray structural analyses of the nine valine to alanine mutants.
Biochemistry, 36, 1997
1W87
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BU of 1w87 by Molmil
FERREDOXIN-NADP REDUCTASE (MUTATION: Y 303 W) COMPLEXED WITH NADP BY COCRYSTALLIZATION
Descriptor: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hermoso, J.A, Perez-Dorado, I, Maya, C.
Deposit date:2004-09-16
Release date:2005-10-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H.
Biochemistry, 44, 2005
1P5X
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BU of 1p5x by Molmil
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS
Descriptor: Phospholipase C, ZINC ION
Authors:Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
Deposit date:2003-04-28
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
219L
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BU of 219l by Molmil
PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME
Descriptor: 2-HYDROXYETHYL DISULFIDE, T4 LYSOZYME
Authors:Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W.
Deposit date:1996-09-23
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
1P6E
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BU of 1p6e by Molmil
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
Descriptor: 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE, Phospholipase C, ZINC ION
Authors:Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
Deposit date:2003-04-29
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
1W35
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BU of 1w35 by Molmil
FERREDOXIN-NADP+ REDUCTASE (MUTATION: Y 303 W)
Descriptor: FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Hermoso, J.A, Perez-Dorado, I, Medina, M, Julvez, M.M, Sanz-Aparicio, J, Gomez-Moreno, C.
Deposit date:2004-07-13
Release date:2005-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H.
Biochemistry, 44, 2005
1W34
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BU of 1w34 by Molmil
FERREDOXIN-NADP REDUCTASE (MUTATION: Y 303 S)
Descriptor: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Hermoso, J.A, Perez-Dorado, I, Medina, M, Julvez, M.M, Sanz-Aparicio, J, Gomez-Moreno, C.
Deposit date:2004-07-13
Release date:2005-10-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:C-Terminal Tyrosine of Ferredoxin-Nadp(+) Reductase in Hydride Transfer Processes with Nad(P)(+)/H.
Biochemistry, 44, 2005
3TYV
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BU of 3tyv by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
Descriptor: N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
3RGF
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BU of 3rgf by Molmil
Crystal Structure of human CDK8/CycC
Descriptor: 1,2-ETHANEDIOL, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Cyclin-C, ...
Authors:Schneider, E.V, Boettcher, J, Blaesse, M, Huber, R, Maskos, K.
Deposit date:2011-04-08
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of CDK8/CycC Implicates Specificity in the CDK/Cyclin Family and Reveals Interaction with a Deep Pocket Binder.
J.Mol.Biol., 412, 2011
1OUE
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BU of 1oue by Molmil
CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: X-RAY STRUCTURE OF THE V125A MUTANT
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Fujii, S, Yutani, K.
Deposit date:1996-08-23
Release date:1997-02-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the hydrophobic effect to the stability of human lysozyme: calorimetric studies and X-ray structural analyses of the nine valine to alanine mutants.
Biochemistry, 36, 1997
3RP2
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BU of 3rp2 by Molmil
THE STRUCTURE OF RAT MAST CELL PROTEASE II AT 1.9-ANGSTROMS RESOLUTION
Descriptor: RAT MAST CELL PROTEASE II
Authors:Reynolds, R, Remington, S, Weaver, L, Fischer, R, Anderson, W, Ammon, H, Matthews, B.
Deposit date:1984-09-10
Release date:1984-10-29
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of rat mast cell protease II at 1.9-A resolution.
Biochemistry, 27, 1988
259L
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BU of 259l by Molmil
AN ADAPTABLE METAL-BINDING SITE ENGINEERED INTO T4 LYSOZYME
Descriptor: CHLORIDE ION, COBALT (II) ION, PROTEIN (LYSOZYME)
Authors:Wray, J.W, Baase, W.A, Ostheimer, G.J, Matthews, B.W.
Deposit date:1999-02-10
Release date:1999-04-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Use of a non-rigid region in T4 lysozyme to design an adaptable metal-binding site.
Protein Eng., 13, 2000
1OUI
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BU of 1oui by Molmil
CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: X-RAY STRUCTURE OF THE V93A MUTANT
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Fujii, S, Yutani, K.
Deposit date:1996-08-23
Release date:1997-02-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the hydrophobic effect to the stability of human lysozyme: calorimetric studies and X-ray structural analyses of the nine valine to alanine mutants.
Biochemistry, 36, 1997
1OUC
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BU of 1ouc by Molmil
CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: X-RAY STRUCTURE OF THE V110A MUTANT
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Fujii, S, Yutani, K.
Deposit date:1996-08-23
Release date:1997-02-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the hydrophobic effect to the stability of human lysozyme: calorimetric studies and X-ray structural analyses of the nine valine to alanine mutants.
Biochemistry, 36, 1997
1OUJ
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BU of 1ouj by Molmil
CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: X-RAY STRUCTURE OF THE V99A MUTANT
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Fujii, S, Yutani, K.
Deposit date:1996-08-23
Release date:1997-02-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the hydrophobic effect to the stability of human lysozyme: calorimetric studies and X-ray structural analyses of the nine valine to alanine mutants.
Biochemistry, 36, 1997
257L
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BU of 257l by Molmil
AN ADAPTABLE METAL-BINDING SITE ENGINEERED INTO T4 LYSOZYME
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PROTEIN (LYSOZYME)
Authors:Wray, J.W, Baase, W.A, Ostheimer, G.J, Matthews, B.W.
Deposit date:1999-01-05
Release date:2000-09-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Use of a non-rigid region in T4 lysozyme to design an adaptable metal-binding site.
Protein Eng., 13, 2000
3TIM
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BU of 3tim by Molmil
THE CRYSTAL STRUCTURE OF THE "OPEN" AND THE "CLOSED" CONFORMATION OF THE FLEXIBLE LOOP OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE
Descriptor: TRIOSEPHOSPHATE ISOMERASE
Authors:Wierenga, R.K.
Deposit date:1990-05-15
Release date:1991-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of the "open" and the "closed" conformation of the flexible loop of trypanosomal triosephosphate isomerase.
Proteins, 10, 1991
3TS1
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BU of 3ts1 by Molmil
STRUCTURE OF TYROSYL-T/RNA SYNTHETASE REFINED AT 2.3 ANGSTROMS RESOLUTION. INTERACTION OF THE ENZYME WITH THE TYROSYL ADENYLATE INTERMEDIATE
Descriptor: PHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY-PHENYL)-PROPYL ESTER ADENOSIN-5'YL ESTER, TYROSYL-TRNA SYNTHETASE
Authors:Monteilhet, C, Brick, P, Blow, D.M.
Deposit date:1989-06-29
Release date:1989-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of tyrosyl-tRNA synthetase refined at 2.3 A resolution. Interaction of the enzyme with the tyrosyl adenylate intermediate.
J.Mol.Biol., 208, 1989
3UD4
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BU of 3ud4 by Molmil
The C92U mutant c-di-GMP-I riboswitch bound to GpA
Descriptor: MAGNESIUM ION, RNA (5'-R(*GP*A)-3'), RNA (92-MER), ...
Authors:Smith, K.D, Strobel, S.A.
Deposit date:2011-10-27
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and biochemical characterization of linear dinucleotide analogues bound to the c-di-GMP-I aptamer.
Biochemistry, 51, 2012

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