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8YD0
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BU of 8yd0 by Molmil
CryoEM structure of M. tuberculosis ClpXP1P2 complex bound to bortezomib
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
著者Zhou, B, Zhao, H, Gao, Y, Chen, X, Zhang, T, He, J, Xiong, X.
登録日2024-02-18
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (2.24 Å)
主引用文献Activation mechanism of caseinolytic chaperone-protease system in Mycobacterium tuberculosis by the anti-cancer drug bortezomib
To Be Published
8YD1
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BU of 8yd1 by Molmil
CryoEM structure of M. tuberculosis ClpC1P1P2 complex bound to bortezomib, conformation 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpC1, ...
著者Zhou, B, Zhao, H, Gao, Y, Chen, X, Zhang, T, He, J, Xiong, X.
登録日2024-02-19
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Activation mechanism of caseinolytic chaperone-protease system in Mycobacterium tuberculosis by the anti-cancer drug bortezomib
To Be Published
8YD2
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BU of 8yd2 by Molmil
CryoEM structure of M. tuberculosis ClpP1P2 bound to bortezomib
分子名称: ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
著者Zhou, B, Gao, Y, Zhao, H, Chen, W, He, J, Zhang, T, Xiong, X.
登録日2024-02-19
公開日2025-03-19
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Activation mechanism of caseinolytic chaperone-protease system in Mycobacterium tuberculosis by the anti-cancer drug bortezomib
To Be Published
7CPC
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BU of 7cpc by Molmil
His-Mediated Reversible Self-assembly of Ferritin Nanocage with Ni binding
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Zhang, T, Zhao, G.
登録日2020-08-06
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献His-Mediated Reversible Self-Assembly of Ferritin Nanocages through Two Different Switches for Encapsulation of Cargo Molecules.
Acs Nano, 2020
7CPI
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BU of 7cpi by Molmil
His-Mediated Reversible Self-assembly of Ferritin Nanocage with Zn binding
分子名称: FE (III) ION, Ferritin, ZINC ION
著者Gu, C, Zhang, T, Zhao, G.
登録日2020-08-07
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献His-Mediated Reversible Self-Assembly of Ferritin Nanocages through Two Different Switches for Encapsulation of Cargo Molecules.
Acs Nano, 2020
7DQO
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BU of 7dqo by Molmil
Marsupenaeus japonicus ferritin mutant-D132R
分子名称: FE (III) ION, Ferritin
著者Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G.
登録日2020-12-24
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals.
Int.J.Biol.Macromol., 191, 2021
7DQP
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BU of 7dqp by Molmil
Thermal treated Marsupenaeus japonicus ferritin
分子名称: Ferritin
著者Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G.
登録日2020-12-24
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals.
Int.J.Biol.Macromol., 191, 2021
7DMQ
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BU of 7dmq by Molmil
Cryo-EM structure of LshCas13a-crRNA-anti-tag RNA complex
分子名称: Anti-tag target RNA, CRISPR RNA, CRISPR/Cas system Cas13a
著者Wang, B, Zhang, T, Ding, J, Patel, D.J, Yang, H.
登録日2020-12-05
公開日2021-02-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural basis for self-cleavage prevention by tag:anti-tag pairing complementarity in type VI Cas13 CRISPR systems.
Mol.Cell, 81, 2021
6FOC
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BU of 6foc by Molmil
F1-ATPase from Mycobacterium smegmatis
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ...
著者Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E.
登録日2018-02-06
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs.
Proc.Natl.Acad.Sci.USA, 116, 2019
6VPT
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BU of 6vpt by Molmil
Crystal structure and mechanistic molecular modeling studies of Rv3377c: the Mycobacterium tuberculosis diterpene cyclase
分子名称: Cyclase
著者Zhang, T, Prach, L, DiMaio, F, Siegel, J.
登録日2020-02-04
公開日2020-12-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.718 Å)
主引用文献Crystal Structure and Mechanistic Molecular Modeling Studies of Mycobacterium tuberculosis Diterpene Cyclase Rv3377c.
Biochemistry, 59, 2020
4ZAE
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BU of 4zae by Molmil
Development of a novel class of potent and selective FIXa inhibitors
分子名称: 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ...
著者Hruza, A, Reichert, P.
登録日2015-04-13
公開日2015-06-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5ACB
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BU of 5acb by Molmil
Crystal Structure of the Human Cdk12-Cyclink Complex
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
著者Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2015-08-14
公開日2016-06-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
6VBI
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BU of 6vbi by Molmil
crystal structure of PDE5 in complex with a non-competitive inhibitor
分子名称: (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
著者Ke, H, Luo, H.B.
登録日2019-12-18
公開日2021-01-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.30000758 Å)
主引用文献Identification of a novel allosteric pocket and its regulation mechanism
To Be Published
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
分子名称: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
著者Park, H, Laughlin, J.D, LoGrasso, P.V.
登録日2011-12-20
公開日2012-02-01
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
3V6R
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BU of 3v6r by Molmil
Discovery of potent and selective covalent inhibitors of JNK
分子名称: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
著者Park, H, LoGrasso, P.V, Laughlin, J.D.
登録日2011-12-20
公開日2012-02-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
9ERV
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BU of 9erv by Molmil
Structure of Salmonella CapRel bound to Bas11 Gp54
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, GP54, ...
著者Garcia-Pino, A.
登録日2024-03-25
公開日2024-11-06
最終更新日2024-12-04
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献A bacterial immunity protein directly senses two disparate phage proteins.
Nature, 635, 2024
7ZTB
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BU of 7ztb by Molmil
Structure of the Salmonella tRNA pyrophosphokinase CapRel
分子名称: CHLORIDE ION, RelA/SpoT family protein, SODIUM ION
著者Garcia-Pino, A.
登録日2022-05-09
公開日2022-11-23
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献Direct activation of a bacterial innate immune system by a viral capsid protein.
Nature, 612, 2022
7XDQ
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BU of 7xdq by Molmil
Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
分子名称: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
著者Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2022-03-28
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7XDR
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BU of 7xdr by Molmil
Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens
分子名称: Glucosylglycerol phosphorylase
著者Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2022-03-28
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7X98
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BU of 7x98 by Molmil
5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris
分子名称: 5-aminolevulinate synthase
著者Zhang, T.T, Liu, H.P.
登録日2022-03-15
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of 5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris presents multiple conformations.
Biochem.Biophys.Res.Commun., 609, 2022
5Y6N
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BU of 5y6n by Molmil
Zika virus helicase in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Helicase domain from Genome polyprotein, MANGANESE (II) ION
著者Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T.
登録日2017-08-12
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
5XV7
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BU of 5xv7 by Molmil
SRPK1 in complex with Alectinib
分子名称: 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1
著者Zeng, C, Ngo, J.C.K.
登録日2017-06-26
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform
Cell Chem Biol, 25, 2018
7N8T
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BU of 7n8t by Molmil
Crystal Structure of AMP-bound Human JNK2
分子名称: ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9
著者Li, L, Gurbani, D, Westover, K.D.
登録日2021-06-15
公開日2022-06-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
分子名称: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-04-13
公開日2018-05-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
6EIF
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BU of 6eif by Molmil
DYRK1A in complex with XMD7-117
分子名称: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018

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件を2025-07-09に公開中

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