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PDB: 45697 件

6T5Y
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Crystal structure of AmpC from E.coli with Zidebactam (WCK 5107)
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Beta-lactamase, CHLORIDE ION, ...
著者Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes.
Antimicrob.Agents Chemother., 65, 2021
8W1C
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Cryo-EM structure of BTV pre-subcore
分子名称: Core protein VP3, VP6
著者Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H.
登録日2024-02-15
公開日2024-04-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells.
Cell, 187, 2024
6HMX
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RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine
分子名称: 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2
著者Convery, M.A, Haile, P.A.
登録日2018-09-13
公開日2018-11-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.
ACS Med Chem Lett, 9, 2018
7UK0
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[T:Au+:T--pH 11 w/ HgCl2] Metal-mediated DNA base pair in tensegrity triangle
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2022-03-31
公開日2023-04-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4.36 Å)
主引用文献Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals.
J.Am.Chem.Soc., 145, 2023
6F9O
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Crystal structure of cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, ...
著者Tratsiak, K, Prudnikova, T, Drienovska, I, Damborsky, J, Brynda, J, Pachl, P, Kuty, M, Chaloupkova, R, Kuta Smatanova, I, Rezacova, P.
登録日2017-12-15
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal structure of the cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5.
Acta Crystallogr.,Sect.F, 75, 2019
8G1Q
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Co-crystal structure of Compound 1 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB
分子名称: DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ...
著者Ghimire Rijal, S, Wurz, R.P, Vaish, A.
登録日2023-02-02
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.73 Å)
主引用文献Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation.
Nat Commun, 14, 2023
3KBS
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Room Temperature X-ray structure of D-Xylose Isomerase in complex with 2Cd(2+) co-factors
分子名称: CADMIUM ION, Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
8W1S
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BU of 8w1s by Molmil
Cryo-EM structure of BTV pre-core
分子名称: Core protein VP3, RNA-directed RNA polymerase
著者Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H.
登録日2024-02-17
公開日2024-04-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells.
Cell, 187, 2024
8BP8
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SPA of Trypsin untreated Rotavirus TLP spike
分子名称: CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ...
著者Shah, P.N.M, Stuart, D.I.
登録日2022-11-16
公開日2023-04-05
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
3KBV
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BU of 3kbv by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors
分子名称: NICKEL (II) ION, Xylose isomerase
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBM
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BU of 3kbm by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
分子名称: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
著者Kovalevsky, A.Y, Hanson, L, Langan, P.
登録日2009-10-20
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
6YE0
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BU of 6ye0 by Molmil
E.coli's Putrescine receptor PotF complexed with Putrescine
分子名称: (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ...
著者Shanmugaratnam, S, Kroeger, P, Hocker, B.
登録日2020-03-23
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
8GUD
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Cryo-EM structure of cancer-specific PI3Kalpha mutant E545K in complex with BYL-719
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-09-11
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
8GUB
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Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-09-11
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
6FBR
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BU of 6fbr by Molmil
Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to the Human MEp DR1 Response Element, pH 4.2
分子名称: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*TP*GP*GP*GP*TP*CP*AP*AP*AP*GP*TP*TP*CP*AP*TP*C)-3'), DNA (5'-D(*GP*AP*TP*GP*AP*AP*CP*TP*TP*TP*GP*AP*CP*CP*CP*AP*G)-3'), ...
著者McEwen, A.G, Poussin-Courmontagne, P, Osz, J, Rochel, N.
登録日2017-12-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Modulation of RXR-DNA complex assembly by DNA context.
Mol. Cell. Endocrinol., 481, 2019
8GRH
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BU of 8grh by Molmil
Crystal structure of a constitutively active mutant of the alpha gamma heterodimer of human IDH3 in complex with CIT
分子名称: CITRIC ACID, Human IDH3 alpha subunit, Isocitrate dehydrogenase [NAD] subunit gamma, ...
著者Sun, P, Chen, X, Ding, J.
登録日2022-09-01
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
1AP1
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BU of 1ap1 by Molmil
THE SOLUTION NMR STRUCTURE OF AN S-STYRENE OXIDE ADDUCT AT THE N2 POSITION OF GUANINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 11-13 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE
分子名称: DNA (5'-D(*CP*AP*CP*CP*AP*CP*CP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GSSP*GP*TP*GP*GP*TP*G)-3')
著者Setayesh, F.R, Stone, M.P.
登録日1997-07-22
公開日1998-07-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 12: minor groove structures of the R(12,1)- and S(12,1)-alpha-(N2-guanyl) stereoisomers determined by 1H nuclear magnetic resonance.
Chem.Res.Toxicol., 11, 1998
5YL5
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BU of 5yl5 by Molmil
Crystal structure of dodecameric Dehydroquinate dehydratase from Acinetobacter baumannii at 1.9A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, GLYCEROL, ...
著者Iqbal, N, Kaur, P, Sharma, S, Singh, T.P.
登録日2017-10-17
公開日2017-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of dodecameric Dehydroquinate dehydratase from Acinetobacter baumannii at 1.9A resolution
To Be Published
8PN9
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Structure of human oligosaccharyltransferase OST-A complex bound to NGI-1
分子名称: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, ...
著者Ramirez, A.S, Kowal, J, Locher, K.P.
登録日2023-06-30
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Positive selection CRISPR screens reveal a druggable pocket in an oligosaccharyltransferase required for inflammatory signaling to NF-kappa B.
Cell, 187, 2024
3ZLO
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BU of 3zlo by Molmil
Crystal structure of BCL-XL in complex with inhibitor (Compound 6)
分子名称: 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1
著者Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M.
登録日2013-02-04
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
6VMS
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BU of 6vms by Molmil
Structure of a D2 dopamine receptor-G-protein complex in a lipid membrane
分子名称: Endolysin,D(2) dopamine receptor,D(2) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yin, J, Chen, K.M, Clark, M.J, Hijazi, M, Kumari, P, Bai, X, Sunahara, R.K, Barth, P, Rosenbaum, D.M.
登録日2020-01-28
公開日2020-06-17
最終更新日2020-08-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of a D2 dopamine receptor-G-protein complex in a lipid membrane.
Nature, 584, 2020
6VXZ
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BU of 6vxz by Molmil
SthK P300A cyclic nucleotide-gated potassium channel in the closed state, in complex with cAMP
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SthK
著者Schmidpeter, P.A.M, Rheinberger, J, Nimigean, C.M.
登録日2020-02-25
公開日2020-11-11
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Prolyl isomerization controls activation kinetics of a cyclic nucleotide-gated ion channel.
Nat Commun, 11, 2020
8GUA
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BU of 8gua by Molmil
Cryo-EM structure of cancer-specific PI3Kalpha mutant E542K in complex with BYL-719
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-09-11
公開日2022-12-07
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
2VQW
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Structure of inhibitor-free HDAC4 catalytic domain (with gain-of- function mutation His332Tyr)
分子名称: HISTONE DEACETYLASE 4, POTASSIUM ION, ZINC ION
著者Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A.
登録日2008-03-19
公開日2008-08-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
2VQM
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Structure of HDAC4 catalytic domain bound to a hydroxamic acid inhbitor
分子名称: HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ...
著者Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A.
登録日2008-03-17
公開日2008-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008

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