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PDB: 40966 件

5OSK
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BU of 5osk by Molmil
Tubulin-7j complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one, CALCIUM ION, ...
著者Menchon, G, Prota, A.E, Steinmetz, M.O, Potter, B.V.L.
登録日2017-08-17
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Quinazolinone-Based Anticancer Agents: Synthesis, Antiproliferative SAR, Antitubulin Activity, and Tubulin Co-crystal Structure.
J. Med. Chem., 61, 2018
4ZM1
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BU of 4zm1 by Molmil
Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - wild type
分子名称: CITRIC ACID, Chain length determinant protein, MAGNESIUM ION
著者Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R.
登録日2015-05-02
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
6GRP
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BU of 6grp by Molmil
Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)
分子名称: 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-12
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
5WM8
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BU of 5wm8 by Molmil
Structure of the 10R (+)-cis-BP-dG modified Rev1 ternary complex
分子名称: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ...
著者Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K.
登録日2017-07-28
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
4K0E
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BU of 4k0e by Molmil
X-ray crystal structure of a heavy metal efflux pump, crystal form II
分子名称: Heavy metal cation tricomponent efflux pump ZneA(CzcA-like), ZINC ION
著者Pak, J.E, Ngonlong Ekende, E, Vandenbussche, G, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
登録日2013-04-03
公開日2013-10-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.713 Å)
主引用文献Structures of intermediate transport states of ZneA, a Zn(II)/proton antiporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
3M30
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BU of 3m30 by Molmil
Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
著者Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M.
登録日2010-03-08
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
6GM5
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BU of 6gm5 by Molmil
[FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E141A
分子名称: CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER, ...
著者Duan, J, Engelbrecht, V, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
登録日2018-05-24
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
7Q89
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BU of 7q89 by Molmil
OleP mutant G92W in complex with 6DEB
分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ...
著者Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E.
登録日2021-11-10
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
6GNO
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BU of 6gno by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA)
分子名称: 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SULFATE ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
7Q6X
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BU of 7q6x by Molmil
OleP mutant S240Y in complex with 6DEB
分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ...
著者Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E.
登録日2021-11-09
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
6GNW
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BU of 6gnw by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T)
分子名称: 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
7Q6R
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BU of 7q6r by Molmil
OleP mutant E89Y in complex with 6DEB
分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ...
著者Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E.
登録日2021-11-09
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
6LOE
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BU of 6loe by Molmil
Cryo-EM structure of the dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii
分子名称: Cytochrome c domain-containing protein, FE3-S4 CLUSTER, Fe-S-cluster-containing hydrogenase components 1-like protein, ...
著者Shi, Y, Xin, Y.Y, Wang, C, Blankenship, R.E, Sun, F, Xu, X.L.
登録日2020-01-05
公開日2020-11-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of the air-oxidized and dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii .
Sci Adv, 6, 2020
4ZVR
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BU of 4zvr by Molmil
Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to DEVD inhibitor.
分子名称: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASJ
著者Hill, M.E, MacPherson, D.J, Hardy, J.A.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
6UXX
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BU of 6uxx by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a
分子名称: (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者Palte, R.L, Schneider, S.E.
登録日2019-11-08
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
6MKH
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BU of 6mkh by Molmil
Crystal structure of pencillin binding protein 4 (PBP4) from Enterococcus faecalis in the imipenem-bound form
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, PHOSPHATE ION, pencillin binding protein 4 (PBP4)
著者D'Andrea, E.D, Moon, T.M, Peti, W, Page, R.
登録日2018-09-25
公開日2018-10-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance.
J. Biol. Chem., 293, 2018
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yan, X.E, Yun, C.H.
登録日2015-05-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
6SHG
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BU of 6shg by Molmil
Diffraction data for RoAb13 crystal co-crystallised with PIYDIN and its RoAb13 structure
分子名称: Antibody RoAb13 Heavy Chain, Antibody RoAb13 Light Chain
著者Saridakis, E, Helliwell, J.R, Govada, L, Chain, B, Morgan, M, Kassen, S.C, Chayen, N.E.
登録日2019-08-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.35050821 Å)
主引用文献X-ray crystallography based model of the antibody RoAb13 bound to peptidomimetics of the HIV receptor chemokine receptor CCR5
To Be Published
1A74
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BU of 1a74 by Molmil
I-PPOL HOMING ENDONUCLEASE/DNA COMPLEX
分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*A P*GP*TP*CP*A)-3'), INTRON-ENCODED ENDONUCLEASE I-PPOI, ZINC ION
著者Jurica, B.L, Flick, K.E, Monnat Junior, R.J, Stoddard, M.S.
登録日1998-03-19
公開日1998-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献DNA binding and cleavage by the nuclear intron-encoded homing endonuclease I-PpoI.
Nature, 394, 1998
6GNM
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BU of 6gnm by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)
分子名称: Transthyretin, bis(2,4-dihydroxyphenyl)methanone
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNR
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BU of 6gnr by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (Clonixin)
分子名称: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
1HQA
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BU of 1hqa by Molmil
ALKALINE PHOSPHATASE (H412Q)
分子名称: ALKALINE PHOSPHATASE, ZINC ION
著者Ma, L, Kantrowitz, E.R.
登録日1995-11-30
公開日1996-03-08
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Kinetic and X-ray structural studies of a mutant Escherichia coli alkaline phosphatase (His-412-->Gln) at one of the zinc binding sites.
Biochemistry, 35, 1996
7QOS
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BU of 7qos by Molmil
Cyclopropane fatty acid synthase from Aquifex aeolicous with bound ligands
分子名称: 2-azanylethyl-[(2~{S})-2,3-di(hexadecanoyloxy)propoxy]phosphinic acid, CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase, ...
著者Lukk, T, Cronan, J.E, Nair, S.K.
登録日2021-12-28
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of cyclopropane fatty acid synthase from Aquifex aeolicus
To Be Published
6GWR
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BU of 6gwr by Molmil
Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2
分子名称: 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ...
著者Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-06-25
公開日2018-08-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
1X1Z
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BU of 1x1z by Molmil
Orotidine 5'-monophosphate decarboxylase (odcase) complexed with BMP (produced from 6-cyanoump)
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase
著者Fujihashi, M, Bello, A.M, Poduch, E, Wei, L, Annedi, S.C, Pai, E.F, Kotra, L.P.
登録日2005-04-15
公開日2005-12-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献An unprecedented twist to ODCase catalytic activity
J.Am.Chem.Soc., 127, 2005

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