7OFP
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![BU of 7ofp by Molmil](/molmil-images/mine/7ofp) | Apo Structure of Mu2 Adaptin Subunit (Ap50) Of AP2 Clathrin Adaptor | Descriptor: | AP-2 complex subunit mu, CITRIC ACID, GLYCEROL | Authors: | Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J. | Deposit date: | 2021-05-05 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch. Sci Adv, 8, 2022
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7OHI
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![BU of 7ohi by Molmil](/molmil-images/mine/7ohi) | FCHO1-peptide-AP2 alpha ear complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AP-2 complex subunit alpha-2, F-BAR domain only protein 1, ... | Authors: | Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J. | Deposit date: | 2021-05-11 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch. Sci Adv, 8, 2022
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4RSD
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![BU of 4rsd by Molmil](/molmil-images/mine/4rsd) | STRUCTURE OF THE D121A VARIANT OF RIBONUCLEASE A | Descriptor: | ACETATE ION, CHLORIDE ION, RIBONUCLEASE A | Authors: | Schultz, L.W, Quirk, D.J, Raines, R.T. | Deposit date: | 1998-02-05 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | His...Asp catalytic dyad of ribonuclease A: structure and function of the wild-type, D121N, and D121A enzymes. Biochemistry, 37, 1998
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6Q4B
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![BU of 6q4b by Molmil](/molmil-images/mine/6q4b) | CDK2 in complex with FragLite13 | Descriptor: | 5-bromanylpyrimidine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4J
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![BU of 6q4j by Molmil](/molmil-images/mine/6q4j) | CDK2 in complex with FragLite34 | Descriptor: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6PSZ
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![BU of 6psz by Molmil](/molmil-images/mine/6psz) | Poliovirus (Type 1 Mahoney), heat-catalysed 135S particle | Descriptor: | VP1, VP2, VP3 | Authors: | Hogle, J.M, Filman, D.J, Shah, P.N.M. | Deposit date: | 2019-07-14 | Release date: | 2020-07-15 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate. Plos Pathog., 16, 2020
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4TTL
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![BU of 4ttl by Molmil](/molmil-images/mine/4ttl) | |
4RWN
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![BU of 4rwn by Molmil](/molmil-images/mine/4rwn) | Crystal structure of the pre-reactive state of porcine OAS1 | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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7P2F
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4TTK
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4TTN
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![BU of 4ttn by Molmil](/molmil-images/mine/4ttn) | Quasi-racemic structure of [G6A]kalata B1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, D-kalata B1, Kalata-B1 | Authors: | Wang, C.K, King, G.J, Craik, D.J. | Deposit date: | 2014-06-22 | Release date: | 2014-09-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2507 Å) | Cite: | Racemic and Quasi-Racemic X-ray Structures of Cyclic Disulfide-Rich Peptide Drug Scaffolds. Angew.Chem.Int.Ed.Engl., 53, 2014
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4RWO
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![BU of 4rwo by Molmil](/molmil-images/mine/4rwo) | Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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7P6L
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![BU of 7p6l by Molmil](/molmil-images/mine/7p6l) | Heme domain of CYP505A30, a fungal hydroxylase from Myceliophthora thermophila, bound to dodecanoic acid | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, LAURIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Opperman, D.J, Aschenbrenner, J.C, Tolmie, C, Ebrecht, A.C. | Deposit date: | 2021-07-16 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structure of the fungal hydroxylase, CYP505A30, and rational transfer of mutation data from CYP102A1 to alter regioselectivity Catalysis Science And Technology, 11, 2021
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4TZ0
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![BU of 4tz0 by Molmil](/molmil-images/mine/4tz0) | DEAD-box helicase Mss116 bound to ssRNA and GDP-BeF | Descriptor: | ATP-dependent RNA helicase MSS116, mitochondrial, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Mallam, A.L, Sidote, D.J, Lambowitz, A.M. | Deposit date: | 2014-07-09 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular insights into RNA and DNA helicase evolution from the determinants of specificity for a DEAD-box RNA helicase. Elife, 3, 2014
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4TYW
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![BU of 4tyw by Molmil](/molmil-images/mine/4tyw) | DEAD-box helicase Mss116 bound to ssRNA and ADP-BeF | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase MSS116, mitochondrial, ... | Authors: | Mallam, A.L, Sidote, D.J, Lambowitz, A.M. | Deposit date: | 2014-07-09 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Molecular insights into RNA and DNA helicase evolution from the determinants of specificity for a DEAD-box RNA helicase. Elife, 3, 2014
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4TZ6
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![BU of 4tz6 by Molmil](/molmil-images/mine/4tz6) | DEAD-box helicase Mss116 bound to ssRNA and UDP-BeF | Descriptor: | ATP-dependent RNA helicase MSS116, mitochondrial, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Mallam, A.L, Sidote, D.J, Lambowitz, A.M. | Deposit date: | 2014-07-09 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.209 Å) | Cite: | Molecular insights into RNA and DNA helicase evolution from the determinants of specificity for a DEAD-box RNA helicase. Elife, 3, 2014
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7OU8
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![BU of 7ou8 by Molmil](/molmil-images/mine/7ou8) | Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | Authors: | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | Deposit date: | 2021-06-11 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
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7OU6
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![BU of 7ou6 by Molmil](/molmil-images/mine/7ou6) | Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | Descriptor: | Protein O-GlcNAcase, ~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide | Authors: | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | Deposit date: | 2021-06-11 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
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4TYY
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![BU of 4tyy by Molmil](/molmil-images/mine/4tyy) | DEAD-box helicase Mss116 bound to ssRNA and CDP-BeF | Descriptor: | ATP-dependent RNA helicase MSS116, mitochondrial, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Mallam, A.L, Sidote, D.J, Lambowitz, A.M. | Deposit date: | 2014-07-09 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Molecular insights into RNA and DNA helicase evolution from the determinants of specificity for a DEAD-box RNA helicase. Elife, 3, 2014
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7DH7
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![BU of 7dh7 by Molmil](/molmil-images/mine/7dh7) | Crystal structure of apo XcZur | Descriptor: | PHOSPHATE ION, Transcriptional regulator fur family, ZINC ION | Authors: | Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H. | Deposit date: | 2020-11-13 | Release date: | 2021-06-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator. Nucleic Acids Res., 49, 2021
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7DH8
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![BU of 7dh8 by Molmil](/molmil-images/mine/7dh8) | Crystal structure of holo XcZur | Descriptor: | Transcriptional regulator fur family, ZINC ION | Authors: | Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H. | Deposit date: | 2020-11-13 | Release date: | 2021-06-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator. Nucleic Acids Res., 49, 2021
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4TYN
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![BU of 4tyn by Molmil](/molmil-images/mine/4tyn) | DEAD-box helicase Mss116 bound to ssDNA and ADP-BeF | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase MSS116, mitochondrial, ... | Authors: | Mallam, A.L, Sidote, D.J, Lambowitz, A.M. | Deposit date: | 2014-07-08 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.959 Å) | Cite: | Molecular insights into RNA and DNA helicase evolution from the determinants of specificity for a DEAD-box RNA helicase. Elife, 3, 2014
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4UN1
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![BU of 4un1 by Molmil](/molmil-images/mine/4un1) | Sirohaem decarboxylase AhbA/B - an enzyme with structural homology to the Lrp/AsnC transcription factor family that is part of the alternative haem biosynthesis pathway. | Descriptor: | 12,18-DIDECARBOXY-SIROHEME, PUTATIVE TRANSCRIPTIONAL REGULATOR, ASNC FAMILY | Authors: | Palmer, D.J, Brown, D.G, Warren, M.J, Pickersgill, R.W. | Deposit date: | 2014-05-23 | Release date: | 2014-06-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The Structure, Function and Properties of Sirohaem Decarboxylase - an Enzyme with Structural Homology to a Transcription Factor Family that is Part of the Alternative Haem Biosynthesis Pathway. Mol.Microbiol., 93, 2014
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7Q21
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![BU of 7q21 by Molmil](/molmil-images/mine/7q21) | III2-IV2 respiratory supercomplex from Corynebacterium glutamicum | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Moe, A, Krol, S, Yanofsky, D.J, Bott, M, Sjostrand, D, Rubinstein, J.L, Hogbom, M, Brzezinski, P. | Deposit date: | 2021-10-22 | Release date: | 2022-02-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The respiratory supercomplex from C. glutamicum. Structure, 30, 2022
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7BHS
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![BU of 7bhs by Molmil](/molmil-images/mine/7bhs) | Crystal structure of MAT2a with quinazoline fragment 2 bound in the allosteric site | Descriptor: | 6-chloranyl-2-methoxy-4-phenyl-quinazoline, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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