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2BVC
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BU of 2bvc by Molmil
Crystal structure of Mycobacterium tuberculosis glutamine synthetase in complex with a transition state mimic
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ...
著者Krajewski, W.W, Jones, T.A, Mowbray, S.L.
登録日2005-06-23
公開日2005-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Mycobacterium Tuberculosis Glutamine Synthetase in Complex with a Transition-State Mimic Provides Functional Insights.
Proc.Natl.Acad.Sci.USA, 102, 2005
2BXF
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BU of 2bxf by Molmil
Human serum albumin complexed with diazepam
分子名称: 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, SERUM ALBUMIN
著者Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
登録日2005-07-26
公開日2005-09-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
6VIU
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BU of 6viu by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Ostrov, D.A.
登録日2020-01-14
公開日2020-11-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published
5IN5
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BU of 5in5 by Molmil
Crystal Structure of GDP-mannose 4,6 dehydratase in complex with natural inhibitor GDP-Fucose
分子名称: GDP-mannose 4,6 dehydratase, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Sickmier, E.A.
登録日2016-03-07
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Facile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase.
Acs Chem.Biol., 11, 2016
1SIS
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BU of 1sis by Molmil
SPATIAL STRUCTURE OF INSECTOTOXIN I5A BUTHUS EUPEUS BY 1H NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (RUSSIAN)
分子名称: SCORPION INSECTOTOXIN I5A
著者Arseniev, A.S, Kondakov, V.I, Lomize, A.L, Maiorov, V.N, Bystrov, V.F.
登録日1993-11-11
公開日1994-04-30
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Determination of the spatial structure of insectotoxin 15A from Buthus erpeus by (1)H-NMR spectroscopy data
Bioorg.Khim., 17, 1991
5IP6
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BU of 5ip6 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-((tetrahydrofuran-3-yl)methyl)pyrrolidine-1-carboxamide at 1.93A resolution
分子名称: N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide, TetR-family transcriptional regulatory repressor protein
著者Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2016-03-09
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
7MFV
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BU of 7mfv by Molmil
Crystal structure of synthetic nanobody (Sb16)
分子名称: 1,2-ETHANEDIOL, Synthetic Nanobody #16 (Sb16)
著者Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H.
登録日2021-04-11
公開日2021-06-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
5VW9
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BU of 5vw9 by Molmil
Nicotinamide soak of Y316S mutant of corn root ferredoxin:NADP+ reductase in alternate space group
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ...
著者Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A.
登録日2017-05-21
公開日2017-08-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017
5VOH
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BU of 5voh by Molmil
Crystal structure of engineered water-forming NADPH oxidase (TPNOX) bound to NADPH. The G159A, D177A, A178R, M179S, P184R mutant of LbNOX.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cracan, V, Grabarek, Z.
登録日2017-05-02
公開日2017-08-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献A genetically encoded tool for manipulation of NADP(+)/NADPH in living cells.
Nat. Chem. Biol., 13, 2017
5IRQ
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BU of 5irq by Molmil
Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel
分子名称: (R)-orteronel, (S)-orteronel, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Scott, E.E, Petrunak, E.M.
登録日2016-03-14
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Drug Metab. Dispos., 45, 2017
5VJA
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BU of 5vja by Molmil
Crystal Structure of human zipper-interacting protein kinase (ZIPK, alias DAPK3) in complex with a pyrazolo[3,4-d]pyrimidinone ligand (HS38)
分子名称: (2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide, DIMETHYL SULFOXIDE, Death-associated protein kinase 3, ...
著者Carlson, D.A, Singer, M.R, Sutherland, C, Redondo, C, Alexander, L, Hughes, P.F, Knapp, S, MacDonald, J.A, Haystead, T.A.J.
登録日2017-04-19
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Targeting Pim Kinases and DAPK3 to Control Hypertension.
Cell Chem Biol, 25, 2018
7MSU
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BU of 7msu by Molmil
Crystal structure of an archaeal CNNM, MtCorB, CBS-pair domain in complex with Mg2+-ATP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Hemolysin, ...
著者Chen, Y.S, Gehring, K.
登録日2021-05-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of an archaeal CorB magnesium transporter.
Nat Commun, 12, 2021
5VN0
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BU of 5vn0 by Molmil
Water-forming NADH oxidase from Lactobacillus brevis (LbNOX) bound to NADH.
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cracan, V, Grabarek, Z.
登録日2017-04-28
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献A genetically encoded tool for manipulation of NADP(+)/NADPH in living cells.
Nat. Chem. Biol., 13, 2017
3GSK
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BU of 3gsk by Molmil
A Bulky Rhodium Complex Bound to an Adenosine-Adenosine DNA Mismatch
分子名称: 5'-D(*CP*GP*GP*AP*AP*AP*TP*TP*AP*CP*CP*G)-3', CACODYLATE ION, bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)
著者Zeglis, B.M, Pierre, V.C, Kaiser, J.T, Barton, J.K.
登録日2009-03-27
公開日2009-05-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A bulky rhodium complex bound to an adenosine-adenosine DNA mismatch: general architecture of the metalloinsertion binding mode
Biochemistry, 48, 2009
4DYE
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BU of 4dye by Molmil
Crystal structure of an enolase (putative sugar isomerase, target efi-502095) from streptomyces coelicolor, no mg, ordered loop
分子名称: 1,2-ETHANEDIOL, GLYCEROL, isomerase
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-02-28
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of an enolase (putative sugar isomerase, target efi-502095) from streptomyces coelicolor, no mg, ordered loop
to be published
4DWF
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BU of 4dwf by Molmil
Crystal structure of a HLA-B associated transcript 3 (BAT3) from Homo sapiens at 1.80 A resolution
分子名称: HLA-B-associated transcript 3, SULFATE ION
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2012-02-24
公開日2012-03-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a HLA-B associated transcript 3 (BAT3) from Homo sapiens at 1.80 A resolution
To be published
3GYK
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BU of 3gyk by Molmil
The crystal structure of a thioredoxin-like oxidoreductase from Silicibacter pomeroyi DSS-3
分子名称: 1,2-ETHANEDIOL, 27kDa outer membrane protein, SULFATE ION
著者Fan, Y, Marshall, N, Keigher, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-04-03
公開日2009-06-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The crystal structure of a thioredoxin-like oxidoreductase from Silicibacter pomeroyi DSS-3
To be Published
4LUP
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BU of 4lup by Molmil
Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand
分子名称: 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli
著者Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G.
登録日2013-07-25
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for -10 promoter element melting by environmentally induced sigma factors.
Nat.Struct.Mol.Biol., 21, 2014
3TG7
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BU of 3tg7 by Molmil
Crystal structure of Adenovirus serotype 5 hexon at 1.6A resolution
分子名称: Hexon protein
著者Zhu, Y, Roszak, A.W, Isaacs, N.W, McVey, J.H, Nicklin, S.A, Baker, A.H.
登録日2011-08-17
公開日2011-11-02
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献crystal structure of Adenovirus serotype 5 hexon at 1.6A resolution
To be Published
9C34
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BU of 9c34 by Molmil
Proline utilization A with the FADH- N5 atom covalently modified by proline
分子名称: (2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid, (2~{S},5~{R})-5-[10-[(2~{S},3~{S},4~{R})-5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-5-yl]pyrrolidine-2-carboxylic acid, Bifunctional protein PutA, ...
著者Tanner, J.J, Buckley, D.P.
登録日2024-05-31
公開日2025-06-04
最終更新日2025-09-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Visualization of covalent intermediates and conformational states of proline utilization A by X-ray crystallography and molecular dynamics simulations.
J.Biol.Chem., 301, 2025
9C35
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BU of 9c35 by Molmil
Proline utilization A with the covalent acyl-enzyme intermediate in the aldehyde dehydrogenase active site
分子名称: 5-oxo-L-norvaline, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Buckley, D.P.
登録日2024-05-31
公開日2025-06-04
最終更新日2025-09-10
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Visualization of covalent intermediates and conformational states of proline utilization A by X-ray crystallography and molecular dynamics simulations.
J.Biol.Chem., 301, 2025
7M7E
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BU of 7m7e by Molmil
6-Deoxyerythronolide B synthase (DEBS) hybrid module (M3/1) in complex with antibody fragment 1B2
分子名称: 1B2 (heavy chain), 1B2 (light chain), 6-deoxyerythronolide-B synthase EryA2, ...
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7H
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BU of 7m7h by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1'
分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7F
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BU of 7m7f by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1
分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
4LUV
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BU of 4luv by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013

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