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4REC
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BU of 4rec by Molmil
A nuclease-DNA complex form 3
分子名称: DNA (40-MER), Fanconi-associated nuclease 1, IODIDE ION
著者Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y.
登録日2014-09-22
公開日2014-12-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
7Z9T
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BU of 7z9t by Molmil
Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide
著者Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R.
登録日2022-03-21
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
166L
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BU of 166l by Molmil
CONTROL OF ENZYME ACTIVITY BY AN ENGINEERED DISULFIDE BOND
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Blaber, M, Matthews, B.W.
登録日1994-06-20
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Alanine scanning mutagenesis of the alpha-helix 115-123 of phage T4 lysozyme: effects on structure, stability and the binding of solvent.
J.Mol.Biol., 246, 1995
6QQP
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BU of 6qqp by Molmil
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2)
分子名称: 1,2-ETHANEDIOL, 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N.
登録日2019-02-18
公開日2020-03-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
4QVB
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BU of 4qvb by Molmil
Mycobacterium tuberculosis protein Rv1155 in complex with co-enzyme F420
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, COENZYME F420, ...
著者Mashalidis, E.H, Gittis, A.G, Tomczak, A, Abell, C, Barry III, C.E, Garboczi, D.N.
登録日2014-07-14
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis.
Protein Sci., 24, 2015
7AQR
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BU of 7aqr by Molmil
Cryo-EM structure of Arabidopsis thaliana Complex-I (peripheral arm)
分子名称: Acyl carrier protein 2, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ...
著者Klusch, N, Kuehlbrandt, W, Yildiz, O.
登録日2020-10-22
公開日2021-12-08
最終更新日2025-10-01
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Plant Cell, 33, 2021
4AJU
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BU of 4aju by Molmil
Crystal structure of the reactive loop cleaved ZPI in P41 space group
分子名称: 1,2-ETHANEDIOL, PROTEIN Z-DEPENDENT PROTEASE INHIBITOR, SULFATE ION
著者Zhou, A, Yan, Y, Wei, Z.
登録日2012-02-19
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis for Catalytic Activation of Protein Z-Dependent Protease Inhibitor (Zpi) by Protein Z.
Blood, 120, 2012
6Z4B
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BU of 6z4b by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, SULFATE ION, ...
著者Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2020-05-25
公開日2020-11-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
9H8S
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BU of 9h8s by Molmil
Human CDK8/Cyclin-C complex with inhibitor 3-7
分子名称: 1,2-ETHANEDIOL, 4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, CHLORIDE ION, ...
著者Somers, D.O.
登録日2024-10-29
公開日2025-01-22
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (2.157 Å)
主引用文献Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
5KF9
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BU of 5kf9 by Molmil
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with N-acetylglucosamine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ...
著者Dopkins, B.J, Thoden, J.B, Holden, H.M, Tipton, P.A.
登録日2016-06-12
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
1A15
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BU of 1a15 by Molmil
SDF-1ALPHA
分子名称: STROMAL DERIVED FACTOR-1ALPHA, SULFATE ION
著者Dealwis, C.G, Fernandez, E.J, Lolis, E.
登録日1997-12-22
公開日1998-08-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of chemically synthesized [N33A] stromal cell-derived factor 1alpha, a potent ligand for the HIV-1 "fusin" coreceptor.
Proc.Natl.Acad.Sci.USA, 95, 1998
6HS9
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BU of 6hs9 by Molmil
The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
分子名称: (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase
著者Lapthorn, A.J, Roszak, A.W.
登録日2018-09-29
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
To Be Published
4REL
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BU of 4rel by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with kaempferol
分子名称: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, ACETATE ION, GLYCEROL, ...
著者Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
登録日2014-09-23
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015
9H8C
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BU of 9h8c by Molmil
Human CDK8/Cyclin-C complex with inhibitor 2-9
分子名称: 1,2-ETHANEDIOL, 4-[(3~{S})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, Cyclin-C, ...
著者Somers, D.O.
登録日2024-10-29
公開日2025-01-22
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (2.573 Å)
主引用文献Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
8FZD
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BU of 8fzd by Molmil
Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with apoRF3, RF1, P- and E-site tRNAPhe (Composite state I-B)
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G.
登録日2023-01-28
公開日2024-07-17
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 31, 2024
8FZH
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BU of 8fzh by Molmil
Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with RF1, P- and E-site tRNAPhe (State II-D)
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G.
登録日2023-01-28
公開日2024-07-17
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 31, 2024
5FLO
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BU of 5flo by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, ZINC ION
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-10-28
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
8FZG
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BU of 8fzg by Molmil
Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with RF3-GDPCP, RF1, P- and E-site tRNAPhe (Composite state II-A)
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G.
登録日2023-01-28
公開日2024-07-17
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 31, 2024
7V2J
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BU of 7v2j by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33
分子名称: Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide
著者Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y.
登録日2021-08-09
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
5FDA
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BU of 5fda by Molmil
The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A
分子名称: CHLORIDE ION, Dihydrofolate reductase
著者Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-15
公開日2015-12-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献structure of dihydrofolate reductase from Yersinia pestis complex with
To Be Published
8FZE
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BU of 8fze by Molmil
Cryo-EM structure of an E. coli non-rotated ribosome termination complex bound with RF1, P- and E-site tRNAPhe (State I-A)
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Rybak, M.Y, Li, L, Lin, J, Gagnon, M.G.
登録日2023-01-28
公開日2024-07-17
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The ribosome termination complex remodels release factor RF3 and ejects GDP.
Nat.Struct.Mol.Biol., 31, 2024
6QOV
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BU of 6qov by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 25 (6-Phenyl-3-pyridinyl)methylamine)
分子名称: (6-phenylpyridin-3-yl)methanamine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
4ZFT
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BU of 4zft by Molmil
Catalytic domain of Sst2 F403W mutant bound to ubiquitin
分子名称: 1,2-ETHANEDIOL, AMSH-like protease sst2, Polyubiquitin-B, ...
著者Bueno, A.N.
登録日2015-04-21
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Structure of the catalytic domain of Sst2 mutant F403W bound to ubiquitin at 2.3 Angstroms
To Be Published
5DLK
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BU of 5dlk by Molmil
The crystal structure of CT mutant
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, TqaA
著者Zhang, J.R, Tang, Y, Zhou, J.H.
登録日2015-09-06
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5DNU
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BU of 5dnu by Molmil
Crystal structure of Striga KAI2-like protein in complex with karrikin
分子名称: 1,2-ETHANEDIOL, 3-methyl-2H-furo[2,3-c]pyran-2-one, BENZOIC ACID, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2015-09-10
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016

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