7AFH
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![BU of 7afh by Molmil](/molmil-images/mine/7afh) | Bacterial 30S ribosomal subunit assembly complex state C (head domain) | Descriptor: | 16SrRNA (head domain of the 30S ribosome), 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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4UMX
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![BU of 4umx by Molmil](/molmil-images/mine/4umx) | IDH1 R132H in complex with cpd 1 | Descriptor: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | Authors: | Mathieu, M, Marquette, J.P. | Deposit date: | 2014-05-22 | Release date: | 2014-11-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
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4UEE
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![BU of 4uee by Molmil](/molmil-images/mine/4uee) | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Ala-Y(PO2CH2)-homoPhe-OH | Descriptor: | (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid, CARBOXYPEPTIDASE A1, ZINC ION | Authors: | Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D. | Deposit date: | 2014-12-17 | Release date: | 2016-01-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors To be Published
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4UOP
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![BU of 4uop by Molmil](/molmil-images/mine/4uop) | Crystal structure of the lipoteichoic acid synthase LtaP from Listeria monocytogenes | Descriptor: | CHLORIDE ION, LIPOTEICHOIC ACID PRIMASE, MAGNESIUM ION, ... | Authors: | Campeotto, I, Freemont, P, Grundling, A. | Deposit date: | 2014-06-06 | Release date: | 2014-08-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system. J. Biol. Chem., 289, 2014
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8TIM
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![BU of 8tim by Molmil](/molmil-images/mine/8tim) | |
6P09
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![BU of 6p09 by Molmil](/molmil-images/mine/6p09) | Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+ | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | Deposit date: | 2019-05-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
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4UEZ
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![BU of 4uez by Molmil](/molmil-images/mine/4uez) | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Phe-Y(PO2CH2)-Phe-OH | Descriptor: | (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid, HUMAN CARBOXYPEPTIDASE A1, ZINC ION | Authors: | Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D. | Deposit date: | 2014-12-22 | Release date: | 2016-01-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors To be Published
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6YNQ
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![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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4UIR
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![BU of 4uir by Molmil](/molmil-images/mine/4uir) | Structure of oleate hydratase from Elizabethkingia meningoseptica | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ... | Authors: | Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K. | Deposit date: | 2015-04-02 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica. Chembiochem, 16, 2015
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4UNT
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![BU of 4unt by Molmil](/molmil-images/mine/4unt) | Induced monomer of the Mcg variable domain | Descriptor: | IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION | Authors: | Brumshtein, B, Esswein, S.R, Landau, M, Ryan, C.M, Whitelegge, J.P, Phillips, M.L, Cascio, D, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2014-05-30 | Release date: | 2014-08-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains. J.Biol.Chem., 289, 2014
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4UN0
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![BU of 4un0 by Molmil](/molmil-images/mine/4un0) | Crystal structure of the human CDK12-cyclinK complex | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-05-22 | Release date: | 2014-06-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding. Sci.Rep., 5, 2015
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7O81
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![BU of 7o81 by Molmil](/molmil-images/mine/7o81) | Rabbit 80S ribosome colliding in another ribosome stalled by the SARS-CoV-2 pseudoknot | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | Authors: | Bhatt, P.R, Scaiola, A, Leibundgut, M.A, Atkins, J.F, Ban, N. | Deposit date: | 2021-04-14 | Release date: | 2021-06-02 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of ribosomal frameshifting during translation of the SARS-CoV-2 RNA genome. Science, 372, 2021
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4UHJ
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![BU of 4uhj by Molmil](/molmil-images/mine/4uhj) | |
6UT0
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![BU of 6ut0 by Molmil](/molmil-images/mine/6ut0) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Vigers, G.P, Smith, D.J. | Deposit date: | 2019-10-29 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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6N16
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![BU of 6n16 by Molmil](/molmil-images/mine/6n16) | |
4UHT
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![BU of 4uht by Molmil](/molmil-images/mine/4uht) | |
6N2K
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![BU of 6n2k by Molmil](/molmil-images/mine/6n2k) | Tetrahydropyridopyrimidines as Covalent Inhibitors of KRAS-G12C | Descriptor: | 1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Vigers, G.P. | Deposit date: | 2018-11-13 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity. ACS Med Chem Lett, 9, 2018
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4WCC
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![BU of 4wcc by Molmil](/molmil-images/mine/4wcc) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation P225G | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-04 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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4WDB
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![BU of 4wdb by Molmil](/molmil-images/mine/4wdb) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation R307Q, complexed with 2'-AMP | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-MONOPHOSPHATE, CHLORIDE ION | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-08 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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4UQJ
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![BU of 4uqj by Molmil](/molmil-images/mine/4uqj) | Cryo-EM density map of GluA2em in complex with ZK200775 | Descriptor: | GLUTAMATE RECEPTOR 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | Authors: | Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S. | Deposit date: | 2014-06-24 | Release date: | 2014-08-13 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (10.4 Å) | Cite: | Structural Mechanism of Glutamate Receptor Activation and Desensitization Nature, 514, 2014
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7O9W
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![BU of 7o9w by Molmil](/molmil-images/mine/7o9w) | Encequidar-bound human P-glycoprotein in complex with UIC2-Fab | Descriptor: | Multidrug resistance protein 1, UIC2 Fab-fragment heavy chain, UIC2 Fab-fragment light chain, ... | Authors: | Nosol, K, Locher, K.P. | Deposit date: | 2021-04-17 | Release date: | 2022-01-12 | Last modified: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Discovery and Characterization of Potent Dual P-Glycoprotein and CYP3A4 Inhibitors: Design, Synthesis, Cryo-EM Analysis, and Biological Evaluations. J.Med.Chem., 65, 2022
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4UUP
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![BU of 4uup by Molmil](/molmil-images/mine/4uup) | Reconstructed ancestral trichomonad malate dehydrogenase in complex with NADH, SO4, and PO4 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, PHOSPHATE ION, ... | Authors: | Steindel, P.A, Chen, E.H, Theobald, D.L. | Deposit date: | 2014-07-29 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.543 Å) | Cite: | Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases. Protein Sci., 25, 2016
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4UQZ
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![BU of 4uqz by Molmil](/molmil-images/mine/4uqz) | Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes | Descriptor: | ACETATE ION, HSIB1, HSIE1 | Authors: | Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A. | Deposit date: | 2014-06-25 | Release date: | 2014-10-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes. RNA, 20, 2014
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6PJJ
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![BU of 6pjj by Molmil](/molmil-images/mine/6pjj) | Human PRPF4B bound to benzothiophene inhibitor 224 | Descriptor: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | to be published To Be Published
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4V0G
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![BU of 4v0g by Molmil](/molmil-images/mine/4v0g) | JAK3 in complex with a covalent EGFR inhibitor | Descriptor: | N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3 | Authors: | Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X. | Deposit date: | 2014-09-16 | Release date: | 2016-01-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation To be Published
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