6O3I
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![BU of 6o3i by Molmil](/molmil-images/mine/6o3i) | Crystal Structure of Human IDO1 bound to navoximod (NLG-919) | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol | Authors: | Harris, S.F, Oh, A. | Deposit date: | 2019-02-26 | Release date: | 2019-07-17 | Last modified: | 2019-08-07 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1. J.Med.Chem., 62, 2019
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6OGZ
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![BU of 6ogz by Molmil](/molmil-images/mine/6ogz) | In situ structure of Rotavirus RNA-dependent RNA polymerase at transcript-elongated state | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Inner capsid protein VP2, RNA (5'-R(P*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*UP*A)-3'), ... | Authors: | Ding, K, Chang, T, Shen, W, Roy, P, Zhou, Z.H. | Deposit date: | 2019-04-03 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | In situ structures of rotavirus polymerase in action and mechanism of mRNA transcription and release. Nat Commun, 10, 2019
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6OGY
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![BU of 6ogy by Molmil](/molmil-images/mine/6ogy) | In situ structure of Rotavirus RNA-dependent RNA polymerase at duplex-open state | Descriptor: | DNA/RNA (5'-D(*(GTG))-R(P*GP*C)-3'), Inner capsid protein VP2, RNA (5'-R(P*AP*GP*CP*C)-3'), ... | Authors: | Ding, K, Chang, T, Shen, W, Roy, P, Zhou, Z.H. | Deposit date: | 2019-04-03 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | In situ structures of rotavirus polymerase in action and mechanism of mRNA transcription and release. Nat Commun, 10, 2019
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4ERF
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![BU of 4erf by Molmil](/molmil-images/mine/4erf) | crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553) | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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3L9M
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![BU of 3l9m by Molmil](/molmil-images/mine/3l9m) | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | Descriptor: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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5GQQ
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![BU of 5gqq by Molmil](/molmil-images/mine/5gqq) | Structure of ALG-2/HEBP2 Complex | Descriptor: | CALCIUM ION, CHLORIDE ION, Heme-binding protein 2, ... | Authors: | Liu, X, Ma, J, Zhang, H, Feng, Y. | Deposit date: | 2016-08-08 | Release date: | 2016-11-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Functional Study of Apoptosis-linked Gene-2Heme-binding Protein 2 Interactions in HIV-1 Production. J. Biol. Chem., 291, 2016
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5U6I
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![BU of 5u6i by Molmil](/molmil-images/mine/5u6i) | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | Deposit date: | 2016-12-08 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity. J. Med. Chem., 60, 2017
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6LA5
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![BU of 6la5 by Molmil](/molmil-images/mine/6la5) | |
6LB1
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![BU of 6lb1 by Molmil](/molmil-images/mine/6lb1) | Cryo-EM structure of echovirus 11 A-particle at pH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Liu, S, Gao, F.G. | Deposit date: | 2019-11-13 | Release date: | 2020-10-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn. Chin.Sci.Bull., 2020
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3L9N
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![BU of 3l9n by Molmil](/molmil-images/mine/3l9n) | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | Descriptor: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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3L9L
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![BU of 3l9l by Molmil](/molmil-images/mine/3l9l) | Crystal structure of pka with compound 36 | Descriptor: | 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Huang, X. | Deposit date: | 2010-01-05 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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6LA7
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![BU of 6la7 by Molmil](/molmil-images/mine/6la7) | |
6LA3
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![BU of 6la3 by Molmil](/molmil-images/mine/6la3) | Cryo-EM structure of full echovirus 11 particle at pH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Liu, S, Gao, F.G. | Deposit date: | 2019-11-11 | Release date: | 2020-10-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.32 Å) | Cite: | Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn. Chin.Sci.Bull., 2020
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6LAO
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![BU of 6lao by Molmil](/molmil-images/mine/6lao) | |
7V27
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![BU of 7v27 by Molmil](/molmil-images/mine/7v27) | RBD/XG005 local refinement | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, XG005-VH, ... | Authors: | Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2021-08-07 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (4.18 Å) | Cite: | RBD/XG005 local refinement To Be Published
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6LBO
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![BU of 6lbo by Molmil](/molmil-images/mine/6lbo) | Cryo-EM structure of echovirus 11 empty particle at pH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Liu, S, Gao, F.G. | Deposit date: | 2019-11-14 | Release date: | 2020-10-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn. Chin.Sci.Bull., 2020
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6LBQ
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![BU of 6lbq by Molmil](/molmil-images/mine/6lbq) | Cryo-EM structure of echovirus 11 empty particle at pH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Liu, S, Gao, F.G. | Deposit date: | 2019-11-14 | Release date: | 2020-10-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn. Chin.Sci.Bull., 2020
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7XA7
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![BU of 7xa7 by Molmil](/molmil-images/mine/7xa7) | Crystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ... | Authors: | Tang, L.F, Zhang, D, Han, P, Qi, J.X. | Deposit date: | 2022-03-17 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2. Int J Biol Sci, 18, 2022
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6LA4
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![BU of 6la4 by Molmil](/molmil-images/mine/6la4) | Cryo-EM structure of full echovirus 11 particle at pH 5.5 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Liu, S, Gao, F.G. | Deposit date: | 2019-11-11 | Release date: | 2020-10-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.34 Å) | Cite: | Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn. Chin.Sci.Bull., 2020
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6LA6
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![BU of 6la6 by Molmil](/molmil-images/mine/6la6) | |
6LAP
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![BU of 6lap by Molmil](/molmil-images/mine/6lap) | Cryo-EM structure of echovirus 11 A-particle at pH 7.4 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Liu, S, Gao, F.G. | Deposit date: | 2019-11-13 | Release date: | 2020-10-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn. Chin.Sci.Bull., 2020
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7Y0Z
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![BU of 7y0z by Molmil](/molmil-images/mine/7y0z) | Crystal structure of Pseudomonas aeruginosa PvrA | Descriptor: | TetR family transcriptional regulator | Authors: | Liang, H, Zhang, Q, Bartlam, M. | Deposit date: | 2022-06-06 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa. Nucleic Acids Res., 51, 2023
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7Y0Y
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![BU of 7y0y by Molmil](/molmil-images/mine/7y0y) | Crystal structure of Pseudomonas aeruginosa PvrA (SeMet) | Descriptor: | TetR family transcriptional regulator | Authors: | Liang, H, Zhang, Q, Bartlam, M. | Deposit date: | 2022-06-06 | Release date: | 2023-02-08 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa. Nucleic Acids Res., 51, 2023
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6IWI
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![BU of 6iwi by Molmil](/molmil-images/mine/6iwi) | Crystal structure of PDE5A in complex with a novel inhibitor | Descriptor: | MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.155 Å) | Cite: | Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension. J.Med.Chem., 62, 2019
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5Y5W
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![BU of 5y5w by Molmil](/molmil-images/mine/5y5w) | |