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4I0F
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BU of 4i0f by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Descriptor: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
Authors:Yao, N, Brecht, E.
Deposit date:2012-11-16
Release date:2013-03-06
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6ID2
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BU of 6id2 by Molmil
Crystal structure of H7 hemagglutinin mutant H7-AVTL (P221T) from the influenza virus A/Anhui/1/2013 (H7N9)
Descriptor: Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F, Xu, Y, Qi, J.X.
Deposit date:2018-09-08
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
4BIM
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BU of 4bim by Molmil
CATALASE 3 FROM NEUROSPORA CRASSA IN TETRAGONAL FORM EXPOSES A MODIFIED TETRAMERIC ORGANIZATION
Descriptor: CATALASE 3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zarate-Romero, A, Rudino-Pinera, E.
Deposit date:2013-04-11
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformational Stability and Crystal Packing: Polymorphism in Neurospora Crassa Cat-3
Acta Crystallogr.,Sect.F, 69, 2013
4I0G
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BU of 4i0g by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Descriptor: 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
Authors:Yao, N, Brecht, E.
Deposit date:2012-11-16
Release date:2013-03-06
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4HZT
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BU of 4hzt by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
Descriptor: 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION
Authors:Yao, N, Brecht, E.
Deposit date:2012-11-15
Release date:2013-03-06
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4I1C
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BU of 4i1c by Molmil
Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors
Descriptor: BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
Authors:Lougheed, J.C, Brecht, E, Yao, N.H.
Deposit date:2012-11-20
Release date:2013-03-06
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6KSE
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BU of 6kse by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria tuberculosisin complex with C18CoA
Descriptor: Acyl-CoA dehydrogenase FadE5, FLAVIN-ADENINE DINUCLEOTIDE, STEAROYL-COENZYME A
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KW3
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BU of 6kw3 by Molmil
The ClassA RSC-Nucleosome Complex
Descriptor: Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC3, ...
Authors:Ye, Y.P, Wu, H, Chen, K.J, Verma, N, Cairns, B, Gao, N, Chen, Z.C.
Deposit date:2019-09-05
Release date:2019-11-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (7.13 Å)
Cite:Structure of the RSC complex bound to the nucleosome.
Science, 366, 2019
6KPT
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BU of 6kpt by Molmil
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-16
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KRI
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BU of 6kri by Molmil
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis with product released
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-21
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
1HPZ
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BU of 1hpz by Molmil
HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
Descriptor: ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, POL POLYPROTEIN
Authors:Ding, J, Hsiou, Y, Arnold, E.
Deposit date:2000-12-13
Release date:2001-05-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance.
J.Mol.Biol., 309, 2001
4K91
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BU of 4k91 by Molmil
Crystal structure of Penicillin-Binding Protein 5 (PBP5) from Pseudomonas aeruginosa in apo state
Descriptor: D-ala-D-ala-carboxypeptidase, SUCCINIC ACID
Authors:Smith, J, Toth, M, Vakulenko, S, Mobashery, S, Chen, Y.
Deposit date:2013-04-19
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural analysis of the role of Pseudomonas aeruginosa penicillin-binding protein 5 in beta-lactam resistance.
Antimicrob.Agents Chemother., 57, 2013
4NIR
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BU of 4nir by Molmil
Crystal structure of B. anthracis DHPS with compound 6: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
Descriptor: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-06
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NL1
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BU of 4nl1 by Molmil
Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
Descriptor: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-13
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NHV
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BU of 4nhv by Molmil
Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
Descriptor: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, Dihydropteroate synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-05
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NIL
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BU of 4nil by Molmil
Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
Descriptor: 4-[(trifluoromethyl)sulfanyl]benzamide, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-06
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
3TL1
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BU of 3tl1 by Molmil
Crystal structure of the Streptomyces coelicolor WhiE ORFVI polyketide aromatase/cyclase
Descriptor: 6,7,9-trihydroxy-3-methyl-1H-benzo[g]isochromen-1-one, GLYCEROL, Polyketide cyclase
Authors:Lee, M.-Y, Ames, B.D, Zhang, W, Tang, Y, Tsai, S.-C.
Deposit date:2011-08-29
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insight into the Molecular Basis of Aromatic Polyketide Cyclization: Crystal Structure and in Vitro Characterization of WhiE-ORFVI.
Biochemistry, 51, 2012

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