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6A7B
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AKR1C3 complexed with new inhibitor with novel scaffold
Descriptor: (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ...
Authors:Zheng, X, Zhao, Y, Zhang, H, Chen, Y.
Deposit date:2018-07-02
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
3EA1
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BU of 3ea1 by Molmil
Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
Descriptor: 1-phosphatidylinositol phosphodiesterase, ZINC ION
Authors:Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
5E4F
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BU of 5e4f by Molmil
The spring alpha-helix coordinates multiple modes of HCV NS3 helicase action
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine protease NS3, ...
Authors:Gu, M, Rice, C.M.
Deposit date:2015-10-05
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Spring alpha-Helix Coordinates Multiple Modes of HCV (Hepatitis C Virus) NS3 Helicase Action.
J.Biol.Chem., 291, 2016
6IC5
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BU of 6ic5 by Molmil
Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2
Descriptor: (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J.
Deposit date:2018-12-02
Release date:2019-04-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
4WG2
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BU of 4wg2 by Molmil
P411BM3-CIS T438S I263F regioselective C-H amination catalyst
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Hyster, T.K, Farwell, C.C, Buller, A.R, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-09-17
Release date:2014-11-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Enzyme-controlled nitrogen-atom transfer enables regiodivergent C-h amination.
J.Am.Chem.Soc., 136, 2014
8QVC
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BU of 8qvc by Molmil
Deinococcus aerius TR0125 C-glucosyl deglycosidase (CGD), wild type crystal cryoprotected with glycerol
Descriptor: CADMIUM ION, DUF6379 domain-containing protein, Xylose isomerase-like TIM barrel domain-containing protein
Authors:Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C.
Deposit date:2023-10-17
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius.
J.Mol.Biol., 436, 2024
8QVD
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BU of 8qvd by Molmil
Deinococcus aerius TR0125 C-glucosyl deglycosidase (CGD), wild type crystal cryoprotected with glycerol
Descriptor: CADMIUM ION, DUF6379 domain-containing protein, Xylose isomerase-like TIM barrel domain-containing protein
Authors:Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C.
Deposit date:2023-10-17
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius.
J.Mol.Biol., 436, 2024
1ATL
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BU of 1atl by Molmil
Structural interaction of natural and synthetic inhibitors with the VENOM METALLOPROTEINASE, ATROLYSIN C (FORM-D)
Descriptor: CALCIUM ION, O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine, Snake venom metalloproteinase atrolysin-D, ...
Authors:Zhang, D, Botos, I, Gomis-Rueth, F.-X, Doll, R, Blood, C, Njoroge, F.G, Fox, J.W, Bode, W, Meyer, E.F.
Deposit date:1995-05-26
Release date:1995-10-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d).
Proc.Natl.Acad.Sci.USA, 91, 1994
7WJS
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BU of 7wjs by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157
Descriptor: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-07
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WKY
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BU of 7wky by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153
Descriptor: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-12
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WLN
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BU of 7wln by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153
Descriptor: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-13
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNA
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BU of 7wna by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-17
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
5G0C
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BU of 5g0c by Molmil
An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C
Descriptor: CARBONIC ANHYDRASE 2, ETHANOL, SODIUM ION, ...
Authors:Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A.
Deposit date:2016-03-17
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
5CBL
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BU of 5cbl by Molmil
Crystal structure of the C-terminal domain of human galectin-4 with lactose
Descriptor: GLYCEROL, Galectin-4, SULFATE ION, ...
Authors:Rustiguel, J.K, Nonato, M.C.
Deposit date:2015-07-01
Release date:2015-11-04
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:Recombinant expression, purification and preliminary biophysical and structural studies of C-terminal carbohydrate recognition domain from human galectin-4.
Protein Expr.Purif., 118, 2015
3F9U
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BU of 3f9u by Molmil
Crystal structure of C-terminal domain of putative exported cytochrome C biogenesis-related protein from Bacteroides fragilis
Descriptor: 1,2-ETHANEDIOL, NITRATE ION, Putative exported cytochrome C biogenesis-related protein
Authors:Chang, C, Tesar, C, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-11-14
Release date:2008-12-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of C-terminal domain of putative exported cytochrome C biogenesis-related protein from Bacteroides fragilis
To be Published
3FG6
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BU of 3fg6 by Molmil
Structure of the C-terminus of Adseverin
Descriptor: Adseverin, CALCIUM ION
Authors:Robinson, R.C.
Deposit date:2008-12-05
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of the C-terminus of adseverin reveals the actin-binding interface.
Proc.Natl.Acad.Sci.USA, 106, 2009
1XZO
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BU of 1xzo by Molmil
Identification of a disulfide switch in BsSco, a member of the Sco family of cytochrome c oxidase assembly proteins
Descriptor: CADMIUM ION, CALCIUM ION, Hypothetical protein ypmQ
Authors:Ye, Q, Imriskova-Sosova, I, Hill, B.C, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2004-11-12
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Identification of a Disulfide Switch in BsSco, a Member of the Sco Family of Cytochrome c Oxidase Assembly Proteins
Biochemistry, 44, 2005
5G0B
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BU of 5g0b by Molmil
An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C
Descriptor: CARBONIC ANHYDRASE 2, CHLORIDE ION, GLYCEROL, ...
Authors:Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A.
Deposit date:2016-03-17
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
6A7A
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BU of 6a7a by Molmil
AKR1C1 complexed with new inhibitor with novel scaffold
Descriptor: (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Zhao, Y, Zhang, H, Chen, Y.
Deposit date:2018-07-02
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
5GSK
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BU of 5gsk by Molmil
Crystal structure of duplex DNA3 in complex with Hg(II) and Sr(II)
Descriptor: DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION, STRONTIUM ION
Authors:Liu, H.H, Wang, R, Yao, Q.Q, Cheng, Y.Q, Yang, C, Luo, Q, Wu, B.X, Li, J.X, Ma, J.B, Sheng, J, Gan, J.H.
Deposit date:2016-08-16
Release date:2017-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5PZM
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BU of 5pzm by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 3-[2-(4-FLUOROPHENYL)-3-(METHYLCARBAMOYL)-1-BENZOFURAN-5-YL]BENZOIC ACID
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PZN
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BU of 5pzn by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(TERT-BUTYLCARBAMOYL)PHENYL]-2-(4-FLUOROPHENYL)-N-METHYL-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PZO
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BU of 5pzo by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE C316N IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-5-[3-({2-METHYL-1-OXO-1-[(1,3,4-THIADIAZOL-2-YL)AMINO]PROPAN-2-YL}CARBAMOYL)PHENYL]-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
7F2E
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BU of 7f2e by Molmil
SARS-CoV-2 nucleocapsid protein C-terminal domain (dodecamer)
Descriptor: Nucleoprotein, PHOSPHATE ION
Authors:Liu, C, Jiang, H.
Deposit date:2021-06-10
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structures of the SARS-CoV-2 nucleocapsid protein C-terminal domain and development of nucleocapsid-targeting nanobodies.
Febs J., 289, 2022
1I2T
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BU of 1i2t by Molmil
X-RAY STRUCTURE OF THE HUMAN HYPERPLASTIC DISCS PROTEIN: AN ORTHOLOG OF THE C-TERMINAL DOMAIN OF POLY(A)-BINDING PROTEIN
Descriptor: HYD PROTEIN
Authors:Deo, R.C, Sonenberg, N, Burley, S.K.
Deposit date:2001-02-12
Release date:2001-04-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:X-ray structure of the human hyperplastic discs protein: an ortholog of the C-terminal domain of poly(A)-binding protein.
Proc.Natl.Acad.Sci.USA, 98, 2001

238582

數據於2025-07-09公開中

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