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5W4Q
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BU of 5w4q by Molmil
Structure of the R18A/E28A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5BSF
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BU of 5bsf by Molmil
Crystal structure of Medicago truncatula (delta)1-Pyrroline-5-Carboxylate Reductase (MtP5CR) in complex with NAD+
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Ruszkowski, M, Nocek, B, Forlani, G, Dauter, Z.
Deposit date:2015-06-02
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The structure of Medicago truncatula delta (1)-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants.
Front Plant Sci, 6, 2015
5IWI
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BU of 5iwi by Molmil
1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA
Descriptor: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), ...
Authors:Bax, B.D, Miles, T.J.
Deposit date:2016-03-22
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
6N4M
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BU of 6n4m by Molmil
IDS-oxidized ADP-bound form of the nitrogenase Fe-protein from A. vinelandii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Wenke, B.B, Spatzal, T, Rees, D.C.
Deposit date:2018-11-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
7ZKP
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BU of 7zkp by Molmil
Late assembly intermediate of the proximal proton pumping module of complex I with assembly factors NDUFAF1 and CIA84
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, ...
Authors:Schiller, J, Laube, E, Vonck, J, Zickermann, V.
Deposit date:2022-04-13
Release date:2022-11-23
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling.
Sci Adv, 8, 2022
5ZV3
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BU of 5zv3 by Molmil
Crystal structure of human anti-tau antibody CBTAU-28.1 in complex with its tau peptide
Descriptor: Heavy chain of antibody CBTAU28.1, Light chain (kappa) of antibody CBTAU28.1, Peptide from Microtubule-associated protein tau
Authors:Zhang, H, Wilson, I.A.
Deposit date:2018-05-09
Release date:2018-06-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
5W4P
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BU of 5w4p by Molmil
Structure of the E28A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
5VYL
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BU of 5vyl by Molmil
Crystal Structure of N-terminal half of Herpes Simplex virus Type 1 UL37 protein
Descriptor: Inner tegument protein, SODIUM ION
Authors:Koenigsberg, A, Heldwein, E.E.
Deposit date:2017-05-25
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Crystal Structure of the N-Terminal Half of the Traffic Controller UL37 from Herpes Simplex Virus 1.
J. Virol., 91, 2017
5W4O
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BU of 5w4o by Molmil
Structure of the R18A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
6PW1
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BU of 6pw1 by Molmil
Cytochrome c Oxidase delta 16
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Ferguson-Miller, S.
Deposit date:2019-07-21
Release date:2019-11-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry.
Biochim Biophys Acta Bioenerg, 1861, 2019
1V4B
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BU of 1v4b by Molmil
The crystal structure of AzoR (Azo Reductase) from Escherichia coli: Oxidized form
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, ISOPROPYL ALCOHOL, ...
Authors:Ito, K, Tanokura, M.
Deposit date:2003-11-12
Release date:2005-01-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of AzoR from Escherichia coli. An oxidereductase conserved in microorganisms
J.Biol.Chem., 281, 2006
5BSE
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BU of 5bse by Molmil
Crystal structure of Medicago truncatula (delta)1-Pyrroline-5-Carboxylate Reductase (MtP5CR)
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Pyrroline-5-carboxylate reductase
Authors:Ruszkowski, M, Nocek, B, Forlani, G, Dauter, Z.
Deposit date:2015-06-02
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of Medicago truncatula delta (1)-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants.
Front Plant Sci, 6, 2015
5Z8Z
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BU of 5z8z by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
1AV6
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BU of 1av6 by Molmil
VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M7G CAPPED RNA HEXAMER AND S-ADENOSYLHOMOCYSTEINE
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, RNA (5'-R(*GP*AP*AP*AP*AP*A)-3'), ...
Authors:Hodel, A.E, Gershon, P.D, Quiocho, F.A.
Deposit date:1997-09-26
Release date:1998-02-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for sequence-nonspecific recognition of 5'-capped mRNA by a cap-modifying enzyme.
Mol.Cell, 1, 1998
1PHB
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BU of 1phb by Molmil
INHIBITOR-INDUCED CONFORMATIONAL CHANGE IN CYTOCHROME P450-CAM
Descriptor: 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Poulos, T.L.
Deposit date:1992-07-27
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibitor-induced conformational change in cytochrome P-450CAM.
Biochemistry, 32, 1993
7L0H
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BU of 7l0h by Molmil
Vanadate-bound PTP1B T177G
Descriptor: Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
Authors:Shen, R.D, Hengge, A.C, Johnson, S.J.
Deposit date:2020-12-11
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
6T0B
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BU of 6t0b by Molmil
The III2-IV(5B)2 respiratory supercomplex from S. cerevisiae
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CALCIUM ION, CARDIOLIPIN, ...
Authors:Marechal, A, Pinotsis, N, Hartley, A.
Deposit date:2019-10-02
Release date:2020-04-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Rcf2 revealed in cryo-EM structures of hypoxic isoforms of mature mitochondrial III-IV supercomplexes.
Proc.Natl.Acad.Sci.USA, 117, 2020
3KSZ
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BU of 3ksz by Molmil
Crystal Structure of C151S+H178N mutant of Glyceraldehyde-3-phosphate-dehydrogenase 1 (GAPDH 1) from Staphylococcus aureus MRSA252 complexed with NAD and G3P
Descriptor: 3-PHOSPHOGLYCERIC ACID, Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2009-11-24
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
5J1E
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BU of 5j1e by Molmil
Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase
Descriptor: 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ...
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2016-03-29
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H.
J.Med.Chem., 59, 2016
4JZ6
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BU of 4jz6 by Molmil
Crystal structure of a salicylaldehyde dehydrogenase from Pseudomonas putida G7 complexed with salicylaldehyde
Descriptor: 1,2-ETHANEDIOL, SALICYLALDEHYDE, SULFATE ION, ...
Authors:Coitinho, J.B, Nagem, R.A.P.
Deposit date:2013-04-02
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.417 Å)
Cite:Structural and Kinetic Properties of the Aldehyde Dehydrogenase NahF, a Broad Substrate Specificity Enzyme for Aldehyde Oxidation.
Biochemistry, 55, 2016
4Q3W
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BU of 4q3w by Molmil
Crystal structure of C. violaceum phenylalanine hydroxylase D139E mutation
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Phenylalanine-4-hydroxylase
Authors:Ronau, J.A, Abu-Omar, M.M, Das, C.
Deposit date:2014-04-12
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A conserved acidic residue in phenylalanine hydroxylase contributes to cofactor affinity and catalysis.
Biochemistry, 53, 2014
6A9W
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BU of 6a9w by Molmil
Structure of the bifunctional DNA primase-polymerase from phage NrS-1
Descriptor: Primase
Authors:Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H.
Deposit date:2018-07-16
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1.
Biochem. Biophys. Res. Commun., 510, 2019
3KW4
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BU of 3kw4 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine
Descriptor: 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2009-11-30
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
3KSD
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BU of 3ksd by Molmil
Crystal Structure of C151S+H178N mutant of Glyceraldehyde-3-phosphate dehydrogenase 1 (GAPDH1) from Staphylococcus aureus MRSA252 complexed with NAD at 2.2 angstrom resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2009-11-22
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
6N4J
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BU of 6n4j by Molmil
Ti(III)citrate-reduced, nucleotide-free form of the nitrogenase Fe-protein from A. vinelandii
Descriptor: IRON/SULFUR CLUSTER, Nitrogenase iron protein 1
Authors:Wenke, B.B, Spatzal, T, Rees, D.C.
Deposit date:2018-11-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019

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数据于2025-10-08公开中

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