6WPE
| HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | Descriptor: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-04-27 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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6X5Y
| IDO1 in complex with compound 4 | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
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7BL7
| Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form) | Descriptor: | URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase | Authors: | Walter, P, Labesse, G, Haouz, A, Mechaly, A.E, Munier-Lehmann, H. | Deposit date: | 2021-01-18 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target. Febs J., 289, 2022
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7BIX
| Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (C2 form) | Descriptor: | URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase | Authors: | Labesse, G, Walter, P, Haouz, A, Mechaly, A.E, Munier-Lehmann, H. | Deposit date: | 2021-01-13 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target. Febs J., 289, 2022
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7E0P
| Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 4-(((6-Bromo-1H-indazol-4-yl)amino)methyl)phenol (2) | Descriptor: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.635 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0T
| Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((5-bromo-1H-indazol-4-yl)amino)methyl)Cyclohexan-1-ol (36) | Descriptor: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0O
| Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-1H-indazol-4-amine (1) | Descriptor: | 6-bromanyl-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.337 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0S
| Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (23) | Descriptor: | (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.712 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0U
| Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-N-(((1S,2S)-2-chlorocyclohexyl)methyl)-1H-indazol-4-amine (39) | Descriptor: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.278 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E0Q
| Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1S,2R)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (22) | Descriptor: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, G.-B, Ning, X.-L. | Deposit date: | 2021-01-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.462 Å) | Cite: | X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J.Med.Chem., 64, 2021
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7E9V
| The Crystal Structure of human UMP-CMP kinase from Biortus. | Descriptor: | SULFATE ION, UMP-CMP kinase | Authors: | Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M. | Deposit date: | 2021-03-05 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of human UMP-CMP kinase from Biortus. To Be Published
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7D80
| Molecular model of the cryo-EM structure of 70S ribosome in complex with peptide deformylase, trigger factor, and methionine aminopeptidase | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Akbar, S, Bhakta, S, Sengupta, J. | Deposit date: | 2020-10-06 | Release date: | 2021-04-07 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural insights into the interplay of protein biogenesis factors with the 70S ribosome. Structure, 29, 2021
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7CXT
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7DW7
| Crystal Structure of N1051A mutant of Formylglycinamidine Synthetase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Sharma, N, Tanwar, A.S, Anand, R. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase. Acs Catalysis, 12, 2022
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7CF9
| Structure of RyR1 (Ca2+/CHL) | Descriptor: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z. | Deposit date: | 2020-06-24 | Release date: | 2020-09-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structural basis for diamide modulation of ryanodine receptor. Nat.Chem.Biol., 16, 2020
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7EPD
| Cryo-EM structure of inactive mGlu2-7 heterodimer | Descriptor: | Isoform 3 of Metabotropic glutamate receptor 7, Metabotropic glutamate receptor 2,Peptidylprolyl isomerase | Authors: | Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q. | Deposit date: | 2021-04-26 | Release date: | 2021-06-23 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structures of human mGlu2 and mGlu7 homo- and heterodimers. Nature, 594, 2021
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6JI8
| Structure of RyR2 (F/apoCaM dataset) | Descriptor: | Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ... | Authors: | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | Deposit date: | 2019-02-20 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
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6J0A
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1OZA
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6JH6
| Structure of RyR2 (F/A/Ca2+ dataset) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ... | Authors: | Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N. | Deposit date: | 2019-02-17 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators. Proc.Natl.Acad.Sci.USA, 116, 2019
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6JII
| Structure of RyR2 (F/A/C/L-Ca2+/apo-CaM-M dataset) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | Authors: | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | Deposit date: | 2019-02-21 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
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5H64
| Cryo-EM structure of mTORC1 | Descriptor: | Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | Authors: | Yang, H, Wang, J, Liu, M, Chen, X, Huang, M, Tan, D, Dong, M, Wong, C.C.L, Wang, J, Xu, Y, Wang, H. | Deposit date: | 2016-11-10 | Release date: | 2017-01-25 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | 4.4 angstrom Resolution Cryo-EM structure of human mTOR Complex 1 Protein Cell, 7, 2016
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6JI0
| Structure of RyR2 (F/A/C/Ca2+ dataset) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | Authors: | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | Deposit date: | 2019-02-19 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
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6JIY
| Structure of RyR2 (F/A/C/H-Ca2+/Ca2+CaM dataset) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | Authors: | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | Deposit date: | 2019-02-24 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
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6JGZ
| Structure of RyR2 (F/P/Ca2+ dataset) | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ZINC ION | Authors: | Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N. | Deposit date: | 2019-02-16 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators. Proc.Natl.Acad.Sci.USA, 116, 2019
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