6DJU
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![BU of 6dju by Molmil](/molmil-images/mine/6dju) | Mtb ClpB in complex with ATPgammaS and casein, Conformer 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Yu, H.J, Li, H.L. | Deposit date: | 2018-05-26 | Release date: | 2018-09-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | ATP hydrolysis-coupled peptide translocation mechanism ofMycobacterium tuberculosisClpB. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4N0S
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![BU of 4n0s by Molmil](/molmil-images/mine/4n0s) | Complex of ERK2 with caffeic acid | Descriptor: | CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Kurinov, I, Malakhova, M. | Deposit date: | 2013-10-02 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7992 Å) | Cite: | Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis. Cancer Prev Res (Phila), 7, 2014
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8IES
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![BU of 8ies by Molmil](/molmil-images/mine/8ies) | Cryo-EM structure of ATP13A2 in the E1P-ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ... | Authors: | Liu, Z.M, Mu, J.Q, Xue, C.Y. | Deposit date: | 2023-02-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Conformational cycle of human polyamine transporter ATP13A2. Nat Commun, 14, 2023
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8IEM
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![BU of 8iem by Molmil](/molmil-images/mine/8iem) | Cryo-EM structure of ATP13A2 in the E2P state | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ... | Authors: | Liu, Z.M, Mu, J.Q, Xue, C.Y. | Deposit date: | 2023-02-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Conformational cycle of human polyamine transporter ATP13A2. Nat Commun, 14, 2023
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8IEN
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![BU of 8ien by Molmil](/molmil-images/mine/8ien) | Cryo-EM structure of ATP13A2 in the E2-Pi state | Descriptor: | MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ... | Authors: | Liu, Z.M, Mu, J.Q, Xue, C.Y. | Deposit date: | 2023-02-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Conformational cycle of human polyamine transporter ATP13A2. Nat Commun, 14, 2023
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8IER
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![BU of 8ier by Molmil](/molmil-images/mine/8ier) | |
8IEO
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![BU of 8ieo by Molmil](/molmil-images/mine/8ieo) | Cryo-EM structure of ATP13A2 in the nominal E1P state | Descriptor: | MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ... | Authors: | Liu, Z.M, Mu, J.Q, Xue, C.Y. | Deposit date: | 2023-02-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Conformational cycle of human polyamine transporter ATP13A2. Nat Commun, 14, 2023
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8IEL
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![BU of 8iel by Molmil](/molmil-images/mine/8iel) | |
8IEK
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![BU of 8iek by Molmil](/molmil-images/mine/8iek) | |
5F87
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![BU of 5f87 by Molmil](/molmil-images/mine/5f87) | |
5F84
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![BU of 5f84 by Molmil](/molmil-images/mine/5f84) | |
5F85
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![BU of 5f85 by Molmil](/molmil-images/mine/5f85) | |
6SZJ
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![BU of 6szj by Molmil](/molmil-images/mine/6szj) | |
3PDV
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![BU of 3pdv by Molmil](/molmil-images/mine/3pdv) | |
5F86
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![BU of 5f86 by Molmil](/molmil-images/mine/5f86) | |
6SZE
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![BU of 6sze by Molmil](/molmil-images/mine/6sze) | |
6UL8
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![BU of 6ul8 by Molmil](/molmil-images/mine/6ul8) | RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide | Descriptor: | (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2 | Authors: | Shewchuk, L.M, Convery, M.A. | Deposit date: | 2019-10-07 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors. Acs Med.Chem.Lett., 10, 2019
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1BO9
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![BU of 1bo9 by Molmil](/molmil-images/mine/1bo9) | |
3WD5
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![BU of 3wd5 by Molmil](/molmil-images/mine/3wd5) | Crystal structure of TNFalpha in complex with Adalimumab Fab fragment | Descriptor: | Adalimumab Heavy Chain, Adalimumab Light Chain, Tumor necrosis factor | Authors: | Hu, S, Liang, S.Y, Guo, Y.J, Lou, Z.Y. | Deposit date: | 2013-06-06 | Release date: | 2013-08-14 | Last modified: | 2015-07-01 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Comparison of the inhibition mechanisms of adalimumab and infliximab in treating tumor necrosis factor alpha-associated diseases from a molecular view J.Biol.Chem., 288, 2013
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8H6T
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![BU of 8h6t by Molmil](/molmil-images/mine/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
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![BU of 8h6p by Molmil](/molmil-images/mine/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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8WUY
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![BU of 8wuy by Molmil](/molmil-images/mine/8wuy) | Crystal Structure of TR3 LBD in complex with para-positioned 3,4,5-trisubstituted benzene derivatives | Descriptor: | Nuclear receptor subfamily 4immunitygroup A member 1, ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | Authors: | Hong, W.B, Chen, X.Q, Lin, T.W. | Deposit date: | 2023-10-21 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design and synthesis of anti-fibrotic compounds derived from para-positioned 3,4,5-trisubstituted benzene. Bioorg.Chem., 144, 2024
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5I5H
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![BU of 5i5h by Molmil](/molmil-images/mine/5i5h) | Ecoli global domain 245-586 | Descriptor: | Inner membrane protein YejM | Authors: | Dong, C, Dong, H. | Deposit date: | 2016-02-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria. Sci Rep, 6, 2016
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5IE7
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![BU of 5ie7 by Molmil](/molmil-images/mine/5ie7) | Crystal structure of a lactonase double mutant in complex with substrate b | Descriptor: | (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | Authors: | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-25 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
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6LSD
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![BU of 6lsd by Molmil](/molmil-images/mine/6lsd) | |