7E11
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![BU of 7e11 by Molmil](/molmil-images/mine/7e11) | Crystal structure of PKAc-PLN R9C complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ... | Authors: | Qin, J, Lin, L, Yuchi, Z. | Deposit date: | 2021-01-28 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy. Elife, 11, 2022
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5U99
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![BU of 5u99 by Molmil](/molmil-images/mine/5u99) | Transition state analysis of adenosine triphosphate phosphoribosyltransferase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, MAGNESIUM ION, ... | Authors: | Moggre, G.-J, Poulin, M.B, Tyler, P.C, Schramm, V.L, Parker, E.J. | Deposit date: | 2016-12-15 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Transition State Analysis of Adenosine Triphosphate Phosphoribosyltransferase. ACS Chem. Biol., 12, 2017
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8I8D
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![BU of 8i8d by Molmil](/molmil-images/mine/8i8d) | Acyl-ACP synthetase structure bound to MC7-ACP | Descriptor: | 7-methoxy-7-oxidanylidene-heptanoic acid, ADENOSINE MONOPHOSPHATE, Acyl carrier protein, ... | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | Deposit date: | 2023-02-03 | Release date: | 2024-02-07 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Acyl-ACP synthetase structure bound to MC7-ACP To Be Published
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8I8E
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![BU of 8i8e by Molmil](/molmil-images/mine/8i8e) | Acyl-ACP synthetase structure bound to C18:1-ACP | Descriptor: | 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, Acyl carrier protein, ... | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | Deposit date: | 2023-02-04 | Release date: | 2024-02-07 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | Acyl-ACP synthetase structure bound to C18:1-ACP To Be Published
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6WEN
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![BU of 6wen by Molmil](/molmil-images/mine/6wen) | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form | Descriptor: | CHLORIDE ION, Non-structural protein 3 | Authors: | Michalska, K, Stols, L, Jedrzejczak, R, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-02 | Release date: | 2020-04-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
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2Y0J
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![BU of 2y0j by Molmil](/molmil-images/mine/2y0j) | Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation. | Descriptor: | 5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | Authors: | Kehler, J, Ritzen, A, Langgard, M, Petersen, S.L, Christoffersen, C.T, Nielsen, J, Kilburn, J.P. | Deposit date: | 2010-12-03 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Triazoloquinazolines as a Novel Class of Phosphodiesterase 10A (Pde10A) Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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8P79
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![BU of 8p79 by Molmil](/molmil-images/mine/8p79) | Cryo-EM structure of CAK with averaged inhibitor density | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7 | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.7 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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5DT6
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![BU of 5dt6 by Molmil](/molmil-images/mine/5dt6) | |
7Z16
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![BU of 7z16 by Molmil](/molmil-images/mine/7z16) | E. coli C-P lyase bound to PhnK/PhnL dual ABC dimer with AMPPNP and PhnK E171Q mutation | Descriptor: | Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnI, ... | Authors: | Amstrup, S.K, Sofus, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E. | Deposit date: | 2022-02-24 | Release date: | 2022-06-22 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.09 Å) | Cite: | Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase. Nat Commun, 14, 2023
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4OGB
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![BU of 4ogb by Molmil](/molmil-images/mine/4ogb) | Crystal structure of the catalytic domain of PDE4D2 with compound 2 | Descriptor: | (2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Feil, S.C, Parker, M.W. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.032 Å) | Cite: | The PDE inhibition profile of LY294002 and tetrahydropyranyl analogues reveals a chromone motif for the development of PDE inhibitors To be Published
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8CH6
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![BU of 8ch6 by Molmil](/molmil-images/mine/8ch6) | Structure of a late-stage activated spliceosome (BAqr) arrested with a dominant-negative Aquarius mutant (state B complex). | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ... | Authors: | Cretu, C, Schmitzova, J, Pena, V. | Deposit date: | 2023-02-07 | Release date: | 2023-05-10 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Structural basis of catalytic activation in human splicing. Nature, 617, 2023
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3IAK
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![BU of 3iak by Molmil](/molmil-images/mine/3iak) | Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, MAGNESIUM ION, ZINC ION, ... | Authors: | Cheng, R.K.Y, Crawley, L, Barker, J, Wood, M, Felicetti, B, Whittaker, M. | Deposit date: | 2009-07-14 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. To be Published
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6MK8
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![BU of 6mk8 by Molmil](/molmil-images/mine/6mk8) | |
4U4S
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![BU of 4u4s by Molmil](/molmil-images/mine/4u4s) | Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution. | Descriptor: | 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ... | Authors: | Noerholm, A.B, Deva, T, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2014-07-24 | Release date: | 2014-11-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides. J.Med.Chem., 57, 2014
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6O7H
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![BU of 6o7h by Molmil](/molmil-images/mine/6o7h) | |
6SGX
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![BU of 6sgx by Molmil](/molmil-images/mine/6sgx) | Structure of protomer 1 of the ESX-3 core complex | Descriptor: | ESX-3 secretion system EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | Deposit date: | 2019-08-05 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Architecture of the mycobacterial type VII secretion system. Nature, 576, 2019
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6SGY
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6SGW
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![BU of 6sgw by Molmil](/molmil-images/mine/6sgw) | Structure of the ESX-3 core complex | Descriptor: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | Deposit date: | 2019-08-05 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Architecture of the mycobacterial type VII secretion system. Nature, 576, 2019
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6SGZ
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![BU of 6sgz by Molmil](/molmil-images/mine/6sgz) | Structure of protomer 2 of the ESX-3 core complex | Descriptor: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | Deposit date: | 2019-08-05 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Architecture of the mycobacterial type VII secretion system. Nature, 576, 2019
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6UJV
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![BU of 6ujv by Molmil](/molmil-images/mine/6ujv) | Model of the HIV-1 gp41 membrane-proximal external region, transmembrane domain and cytoplasmic tail (LLP2) | Descriptor: | Envelope glycoprotein GP41 | Authors: | Piai, A, Fu, Q, Cai, Y, Ghantous, F, Xiao, T, Shaik, M.M, Peng, H, Rits-Volloch, S, Liu, Z, Chen, W, Seaman, M.S, Chen, B, Chou, J.J. | Deposit date: | 2019-10-03 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis of transmembrane coupling of the HIV-1 envelope glycoprotein. Nat Commun, 11, 2020
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2G1K
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![BU of 2g1k by Molmil](/molmil-images/mine/2g1k) | Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate at 1.75 angstrom resolution | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, SULFATE ION, ... | Authors: | Gan, J, Gu, Y, Li, Y, Yan, H, Ji, X. | Deposit date: | 2006-02-14 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue. Biochemistry, 45, 2006
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1I6I
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![BU of 1i6i by Molmil](/molmil-images/mine/1i6i) | CRYSTAL STRUCTURE OF THE KIF1A MOTOR DOMAIN COMPLEXED WITH MG-AMPPCP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, KINESIN-LIKE PROTEIN KIF1A, MAGNESIUM ION, ... | Authors: | Kikkawa, M, Sablin, E.P, Okada, Y, Yajima, H, Fletterick, R.J, Hirokawa, N. | Deposit date: | 2001-03-02 | Release date: | 2001-05-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Switch-based mechanism of kinesin motors Nature, 411, 2001
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2G5M
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![BU of 2g5m by Molmil](/molmil-images/mine/2g5m) | Spinophilin PDZ domain | Descriptor: | Neurabin-2 | Authors: | Kelker, M.S, Peti, W. | Deposit date: | 2006-02-23 | Release date: | 2007-01-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for spinophilin-neurabin receptor interaction. Biochemistry, 46, 2007
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2G1J
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![BU of 2g1j by Molmil](/molmil-images/mine/2g1j) | Crystal structure of Mycobacterium tuberculosis Shikimate Kinase at 2.0 angstrom resolution | Descriptor: | SULFATE ION, Shikimate kinase | Authors: | Gan, J, Gu, Y, Li, Y, Yan, H, Ji, X. | Deposit date: | 2006-02-14 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue. Biochemistry, 45, 2006
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4NX6
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![BU of 4nx6 by Molmil](/molmil-images/mine/4nx6) | single room temperature model of DHFR | Descriptor: | BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FOLIC ACID, ... | Authors: | Fenwick, R.B, van den Bedem, H, Fraser, J.S, Wright, P.E. | Deposit date: | 2013-12-08 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR. Proc.Natl.Acad.Sci.USA, 111, 2014
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