5I96
 
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor. | | Descriptor: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ... | | Authors: | Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | | Deposit date: | 2016-02-19 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
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6AI8
 | | Cab2 mutant-H337A | | Descriptor: | GLYCEROL, Phosphopantothenate--cysteine ligase CAB2, SULFATE ION | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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5YUQ
 | | The high resolution structure of chitinase (RmChi1) from the thermophilic fungus Rhizomucor miehei (sp P1) | | Descriptor: | Chintase | | Authors: | Jiang, Z.Q, Hu, S.Q, Liu, Y.C, Qin, Z, Yan, Q.J, Yang, S.Q. | | Deposit date: | 2017-11-23 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel.
Biochim Biophys Acta Proteins Proteom, 2021
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6AIP
 | | Cab2 mutant-H337A complex with phosphopantothenoylcystine | | Descriptor: | (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name), Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-24 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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6AIK
 | | Cab2 mutant H337A complex with phosphopantothenoyl-CMP | | Descriptor: | PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER, Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-24 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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8JMT
 | | Structure of the adhesion GPCR ADGRL3 in the apo state | | Descriptor: | Adhesion G protein-coupled receptor L3,Soluble cytochrome b562 | | Authors: | Tao, Y, Guo, Q, He, B, Zhong, Y. | | Deposit date: | 2023-06-05 | | Release date: | 2023-09-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
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8H6T
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | | Descriptor: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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8H6P
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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7WIX
 | | Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ... | | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
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7WIV
 | | Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with an AMP-PNP | | Descriptor: | Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
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7WIU
 | | Cryo-EM structure of Mycobacterium tuberculosis irtAB in inward-facing state | | Descriptor: | Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB | | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
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7WIW
 | | Cryo-EM structure of Mycobacterium tuberculosis irtAB complexed with ATP in an occluded conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ... | | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
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7FBT
 | | Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (sp p32 2 1, MR) | | Descriptor: | Chitinase, MAGNESIUM ION | | Authors: | Jiang, Z.Q, Hu, S.Q, Zhu, Q, Liu, Y.C, Ma, J.W, Yan, Q.J, Gao, Y.G, Yang, S.Q. | | Deposit date: | 2021-07-12 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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8H69
 | | Cryo-EM structure of influenza RNA polymerase | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*UP*AP*AP*AP*CP*UP*CP*CP*UP*GP*CP*UP*UP*UP*UP*GP*CP*U)-3'), ... | | Authors: | Li, H, Wu, Y, Liang, H, Liu, Y. | | Deposit date: | 2022-10-16 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | An intermediate state allows influenza polymerase to switch smoothly between transcription and replication cycles.
Nat.Struct.Mol.Biol., 30, 2023
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6KO0
 | | The crystal structue of PDE10A complexed with 1i | | Descriptor: | 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | | Deposit date: | 2019-08-07 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.600029 Å) | | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
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6KO1
 | | The crystal structue of PDE10A complexed with 2d | | Descriptor: | 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B. | | Deposit date: | 2019-08-07 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
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8HFK
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8HFJ
 | | Crystal Structure of CbAR mutant (H162F) in complex with NADP+ and a bulky 1,3-cyclodiketone | | Descriptor: | 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Versicolorin reductase | | Authors: | Hou, X.D, Yin, D.J, Rao, Y.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural analysis of an anthrol reductase inspires enantioselective synthesis of enantiopure hydroxycycloketones and beta-halohydrins.
Nat Commun, 14, 2023
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5I05
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6L2T
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6L8O
 | | Crystal structure of the K. lactis Rad5 (Hg-derivative) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA repair protein RAD5, MERCURY (II) ION | | Authors: | Shen, M, Xiang, S. | | Deposit date: | 2019-11-06 | | Release date: | 2020-11-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
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6L8N
 | | Crystal structure of the K. lactis Rad5 | | Descriptor: | DNA repair protein RAD5, ZINC ION | | Authors: | Shen, M, Xiang, S. | | Deposit date: | 2019-11-06 | | Release date: | 2020-11-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
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8IPS
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8IPR
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8IPQ
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