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3IQR
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BU of 3iqr by Molmil
SAM-I riboswitch from T. tencongensis variant A94G bound with SAM
分子名称: BARIUM ION, S-ADENOSYLMETHIONINE, SAM-I riboswitch
著者Montange, R.K, Batey, R.T.
登録日2009-08-20
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Free state conformational sampling of the SAM-I riboswitch aptamer domain.
Structure, 18, 2010
6MCQ
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BU of 6mcq by Molmil
L. pneumophila effector kinase LegK7 in complex with human MOB1A
分子名称: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, LegK7, ...
著者Beyrakhova, K.A, Xu, C, Boniecki, M.T, Cygler, M.
登録日2018-09-01
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献TheLegionellakinase LegK7 exploits the Hippo pathway scaffold protein MOB1A for allostery and substrate phosphorylation.
Proc.Natl.Acad.Sci.USA, 117, 2020
5L21
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BU of 5l21 by Molmil
Crystal structure of BoNT/A receptor binding domain in complex with VHH C2
分子名称: Botulinum neurotoxin type A, VHH-C2
著者Yao, G, Jin, R.
登録日2016-07-29
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A camelid single-domain antibody neutralizes botulinum neurotoxin A by blocking host receptor binding.
Sci Rep, 7, 2017
3IID
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BU of 3iid by Molmil
Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form A)
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1, ...
著者Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K.
登録日2009-07-31
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
5A39
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BU of 5a39 by Molmil
Structure of Rad14 in complex with cisplatin containing DNA
分子名称: 5'-D(*DGP*AP*TP*GP*AP*CP*CP*GP*TP*AP*GP*AP*GP)-3', 5'-D(*DTP*GP*AP*TP*GP*AP*CP*CP*GP*TP*AP*GP*AP)-3', Cisplatin, ...
著者Koch, S.C, Kuper, J, Gasteiger, K.L, Wichlein, N, Strasser, R, Eisen, D, Geiger, S, Schneider, S, Kisker, C, Carell, T.
登録日2015-05-28
公開日2015-06-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights Into the Recognition of Cisplatin and Aaf-Dg Lesion by Rad14 (Xpa).
Proc.Natl.Acad.Sci.USA, 112, 2015
3IKD
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BU of 3ikd by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
分子名称: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Matthews, D, Greasley, S, Ferre, R, Parge, H.
登録日2009-08-05
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
5A4H
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BU of 5a4h by Molmil
Solution structure of the lipid droplet anchoring peptide of CGI-58 bound to DPC micelles
分子名称: 1-ACYLGLYCEROL-3-PHOSPHATE O-ACYLTRANSFERASE ABHD5
著者Boeszoermenyi, A, Arthanari, H, Wagner, G, Nagy, H.M, Zangger, K, Lindermuth, H, Oberer, M.
登録日2015-06-09
公開日2015-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of a Cgi-58 Motif Provides the Molecular Basis of Lipid Droplet Anchoring.
J.Biol.Chem., 290, 2015
5LA0
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BU of 5la0 by Molmil
The mechanism by which arabinoxylanases can recognise highly decorated xylans
分子名称: CALCIUM ION, Carbohydrate binding family 6, SULFATE ION, ...
著者Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, A.
登録日2016-06-13
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans.
J.Biol.Chem., 291, 2016
3IQN
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BU of 3iqn by Molmil
Free-state structural transitions of the SAM-I riboswitch
分子名称: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
著者Montange, R.K, Batey, R.T.
登録日2009-08-20
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Free state conformational sampling of the SAM-I riboswitch aptamer domain.
Structure, 18, 2010
6AE1
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BU of 6ae1 by Molmil
Crystal structure of Csm2 of the type III-A CRISPR-Cas effector complex
分子名称: CRISPR-associated protein, TM1810 family
著者Numata, T.
登録日2018-08-03
公開日2019-01-23
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (2.405 Å)
主引用文献Crystal Structures of Csm2 and Csm3 in the Type III-A CRISPR-Cas Effector Complex.
J. Mol. Biol., 431, 2019
6AMB
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BU of 6amb by Molmil
Crystal Structure of the Afadin RA1 domain in complex with HRAS
分子名称: Afadin, GTPase HRas, MAGNESIUM ION, ...
著者Smith, M.J, Ishiyama, N, Ikura, M.
登録日2017-08-09
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evolution of AF6-RAS association and its implications in mixed-lineage leukemia.
Nat Commun, 8, 2017
6E87
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BU of 6e87 by Molmil
Crystal structure of ferrous form of the crosslinked human cysteine dioxygenase in the anaerobic condition
分子名称: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
著者Liu, A, Li, J.
登録日2018-07-27
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine.
Biochemistry, 58, 2019
3IK3
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BU of 3ik3 by Molmil
AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T.
登録日2009-08-05
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
5AWE
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BU of 5awe by Molmil
Crystal structure of a hypothetical protein, TTHA0829 from Thermus thermophilus HB8, composed of cystathionine-beta-synthase (CBS) and aspartate-kinase chorismate-mutase tyrA (ACT) domains
分子名称: Putative acetoin utilization protein, acetoin dehydrogenase
著者Nakabayashi, M, Shibata, N, Kanagawa, M, Nakagawa, N, Kuramitsu, S, Higuchi, Y.
登録日2015-07-03
公開日2016-05-18
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of a hypothetical protein, TTHA0829 from Thermus thermophilus HB8, composed of cystathionine-beta-synthase (CBS) and aspartate-kinase chorismate-mutase tyrA (ACT) domains.
Extremophiles, 20, 2016
7VYT
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BU of 7vyt by Molmil
Crystal structure of human TIGIT(23-129) in complex with the scFv fragment of anti-TIGIT antibody MG1131
分子名称: CITRATE ANION, MG1131 heavy chain variable region, MG1131 light chain variable region, ...
著者Jeong, B.-S, Nam, H, Kim, M, Oh, B.-H.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural and functional characterization of a monoclonal antibody blocking TIGIT.
Mabs, 14, 2022
3IQP
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BU of 3iqp by Molmil
SAM-I riboswitch from T. tencongensis variant A94G apo form
分子名称: BARIUM ION, SAM-I riboswitch
著者Montange, R.K, Batey, R.T.
登録日2009-08-20
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Free state conformational sampling of the SAM-I riboswitch aptamer domain.
Structure, 18, 2010
6AKM
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BU of 6akm by Molmil
Crystal structure of SLMAP-SIKE1 complex
分子名称: GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1
著者Ma, J, Chen, M, Zhou, Z.C.
登録日2018-09-02
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
7VDQ
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BU of 7vdq by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7
分子名称: 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDS
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BU of 7vds by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24
分子名称: 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
3I9G
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BU of 3i9g by Molmil
Crystal structure of the LT1009 (SONEPCIZUMAB) antibody Fab fragment in complex with sphingosine-1-phosphate
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, CALCIUM ION, MAGNESIUM ION, ...
著者Huxford, T.
登録日2009-07-10
公開日2009-09-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of sphingosine-1-phosphate in complex with a Fab fragment reveals metal bridging of an antibody and its antigen.
Proc.Natl.Acad.Sci.USA, 106, 2009
7VDR
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BU of 7vdr by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13
分子名称: (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDP
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BU of 7vdp by Molmil
The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ...
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
7VDU
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BU of 7vdu by Molmil
The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1
分子名称: Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
著者Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M.
登録日2021-09-07
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
6MA3
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BU of 6ma3 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 2a
分子名称: 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Martin, S.E.S, Lazarus, M.B, Walker, S.
登録日2018-08-25
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
7VU8
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BU of 7vu8 by Molmil
L7-Tir domain with bound ligand
分子名称: 2',3'- cyclic AMP, Flax rust resistance protein
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2021-11-01
公開日2022-06-01
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022

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件を2024-07-17に公開中

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