8YD0
 
 | | CryoEM structure of M. tuberculosis ClpXP1P2 complex bound to bortezomib | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ... | | Authors: | Zhou, B, Zhao, H, Gao, Y, Chen, X, Zhang, T, He, J, Xiong, X. | | Deposit date: | 2024-02-18 | | Release date: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | Activation mechanism of caseinolytic chaperone-protease system in Mycobacterium tuberculosis by the anti-cancer drug bortezomib
To Be Published
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8YD1
 | | CryoEM structure of M. tuberculosis ClpC1P1P2 complex bound to bortezomib, conformation 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpC1, ... | | Authors: | Zhou, B, Zhao, H, Gao, Y, Chen, X, Zhang, T, He, J, Xiong, X. | | Deposit date: | 2024-02-19 | | Release date: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Activation mechanism of caseinolytic chaperone-protease system in Mycobacterium tuberculosis by the anti-cancer drug bortezomib
To Be Published
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8YD2
 | | CryoEM structure of M. tuberculosis ClpP1P2 bound to bortezomib | | Descriptor: | 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 | | Authors: | Zhou, B, Gao, Y, Zhao, H, Chen, W, He, J, Zhang, T, Xiong, X. | | Deposit date: | 2024-02-19 | | Release date: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Activation mechanism of caseinolytic chaperone-protease system in Mycobacterium tuberculosis by the anti-cancer drug bortezomib
To Be Published
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7CPC
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7CPI
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7DQO
 | | Marsupenaeus japonicus ferritin mutant-D132R | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G. | | Deposit date: | 2020-12-24 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals.
Int.J.Biol.Macromol., 191, 2021
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7DQP
 | | Thermal treated Marsupenaeus japonicus ferritin | | Descriptor: | Ferritin | | Authors: | Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G. | | Deposit date: | 2020-12-24 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals.
Int.J.Biol.Macromol., 191, 2021
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7DMQ
 | | Cryo-EM structure of LshCas13a-crRNA-anti-tag RNA complex | | Descriptor: | Anti-tag target RNA, CRISPR RNA, CRISPR/Cas system Cas13a | | Authors: | Wang, B, Zhang, T, Ding, J, Patel, D.J, Yang, H. | | Deposit date: | 2020-12-05 | | Release date: | 2021-02-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural basis for self-cleavage prevention by tag:anti-tag pairing complementarity in type VI Cas13 CRISPR systems.
Mol.Cell, 81, 2021
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6FOC
 | | F1-ATPase from Mycobacterium smegmatis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ... | | Authors: | Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E. | | Deposit date: | 2018-02-06 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | 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
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6VPT
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4ZAE
 | | Development of a novel class of potent and selective FIXa inhibitors | | Descriptor: | 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, ... | | Authors: | Hruza, A, Reichert, P. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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5ACB
 | | Crystal Structure of the Human Cdk12-Cyclink Complex | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2015-08-14 | | Release date: | 2016-06-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
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6VBI
 | | crystal structure of PDE5 in complex with a non-competitive inhibitor | | Descriptor: | (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 | | Authors: | Ke, H, Luo, H.B. | | Deposit date: | 2019-12-18 | | Release date: | 2021-01-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.30000758 Å) | | Cite: | Identification of a novel allosteric pocket and its regulation mechanism
To Be Published
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3V6S
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3V6R
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9ERV
 | | Structure of Salmonella CapRel bound to Bas11 Gp54 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, GP54, ... | | Authors: | Garcia-Pino, A. | | Deposit date: | 2024-03-25 | | Release date: | 2024-11-06 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | A bacterial immunity protein directly senses two disparate phage proteins.
Nature, 635, 2024
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7ZTB
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7XDQ
 | | Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens | | Descriptor: | Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose | | Authors: | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | | Deposit date: | 2022-03-28 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
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7XDR
 | | Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens | | Descriptor: | Glucosylglycerol phosphorylase | | Authors: | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | | Deposit date: | 2022-03-28 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
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7X98
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5Y6N
 | | Zika virus helicase in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Helicase domain from Genome polyprotein, MANGANESE (II) ION | | Authors: | 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. | | Deposit date: | 2017-08-12 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
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5XV7
 | | SRPK1 in complex with Alectinib | | Descriptor: | 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 | | Authors: | Zeng, C, Ngo, J.C.K. | | Deposit date: | 2017-06-26 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform
Cell Chem Biol, 25, 2018
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7N8T
 | | Crystal Structure of AMP-bound Human JNK2 | | Descriptor: | ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9 | | Authors: | Li, L, Gurbani, D, Westover, K.D. | | Deposit date: | 2021-06-15 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
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6D2L
 | | Crystal structure of human CARM1 with (S)-SKI-72 | | Descriptor: | (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, ... | | Authors: | 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) | | Deposit date: | 2018-04-13 | | Release date: | 2018-05-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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6EIF
 | | DYRK1A in complex with XMD7-117 | | Descriptor: | 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Rothweiler, U. | | Deposit date: | 2017-09-19 | | Release date: | 2018-08-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
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