4OU1
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![BU of 4ou1 by Molmil](/molmil-images/mine/4ou1) | Crystal structure of a computationally designed retro-aldolase covalently bound to folding probe 1 [(6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol] | Descriptor: | (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol, BENZOIC ACID, PHOSPHATE ION, ... | Authors: | Bhabha, G, Zhang, X, Ekiert, D.C. | Deposit date: | 2014-02-14 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Small molecule probes to quantify the functional fraction of a specific protein in a cell with minimal folding equilibrium shifts. Proc.Natl.Acad.Sci.USA, 111, 2014
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4OX2
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5L84
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5L3D
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![BU of 5l3d by Molmil](/molmil-images/mine/5l3d) | Human LSD1/CoREST: LSD1 Y761H mutation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 | Authors: | Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A. | Deposit date: | 2016-04-06 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum.Mol.Genet., 25, 2016
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7MKJ
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![BU of 7mkj by Molmil](/molmil-images/mine/7mkj) | Cryo-EM structure of Escherichia coli RNA polymerase bound to T7A1 promoter DNA | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Saecker, R.M, Darst, S.A, Chen, J. | Deposit date: | 2021-04-23 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural origins of Escherichia coli RNA polymerase open promoter complex stability. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MKD
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![BU of 7mkd by Molmil](/molmil-images/mine/7mkd) | Cryo-EM structure of Escherichia coli RNA polymerase bound to lambda PR promoter DNA (class 1) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Saecker, R.M, Darst, S.A, Chen, J. | Deposit date: | 2021-04-23 | Release date: | 2021-09-29 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural origins of Escherichia coli RNA polymerase open promoter complex stability. Proc.Natl.Acad.Sci.USA, 118, 2021
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5OL0
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![BU of 5ol0 by Molmil](/molmil-images/mine/5ol0) | Structure of Leishmania infantum Silent Information Regulator 2 related protein 1 (LiSIR2rp1) in complex with acetylated p53 peptide | Descriptor: | Cellular tumor antigen p53, Putative silent information regulator 2,Putative silent information regulator 2, ZINC ION | Authors: | Ronin, C, Ciesielski, F, Ciapetti, P. | Deposit date: | 2017-07-26 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The crystal structure of the Leishmania infantum Silent Information Regulator 2 related protein 1: Implications to protein function and drug design. PLoS ONE, 13, 2018
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7MKE
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![BU of 7mke by Molmil](/molmil-images/mine/7mke) | Cryo-EM structure of Escherichia coli RNA polymerase bound to lambda PR promoter DNA (class 2) | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Saecker, R.M, Darst, S.A, Chen, J. | Deposit date: | 2021-04-23 | Release date: | 2021-09-29 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural origins of Escherichia coli RNA polymerase open promoter complex stability. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MKI
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![BU of 7mki by Molmil](/molmil-images/mine/7mki) | Cryo-EM structure of Escherichia coli RNA polymerase bound to lambda PR (-5G to C) promoter DNA | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Saecker, R.M, Darst, S.A, Chen, J. | Deposit date: | 2021-04-23 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural origins of Escherichia coli RNA polymerase open promoter complex stability. Proc.Natl.Acad.Sci.USA, 118, 2021
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5L3B
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![BU of 5l3b by Molmil](/molmil-images/mine/5l3b) | Human LSD1/CoREST: LSD1 D556G mutation | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 | Authors: | Pilotto, S, Speranzini, V, Marabelli, C. | Deposit date: | 2016-04-06 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum.Mol.Genet., 25, 2016
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6RW0
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![BU of 6rw0 by Molmil](/molmil-images/mine/6rw0) | Crystal structure of ANGEL2, a 2',3'-cyclic phosphatase | Descriptor: | GLYCEROL, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Kroupova, A, Jinek, M. | Deposit date: | 2019-06-03 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | ANGEL2 is a member of the CCR4 family of deadenylases with 2',3'-cyclic phosphatase activity. Science, 369, 2020
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6U0J
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![BU of 6u0j by Molmil](/molmil-images/mine/6u0j) | Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP | Descriptor: | 1,2-ETHANEDIOL, Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase, ... | Authors: | Mindrebo, J.T, Misson, L, Davis, T.D, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-08-14 | Release date: | 2020-07-22 | Last modified: | 2020-10-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interfacial plasticity facilitates high reaction rate of E. coli FAS malonyl-CoA:ACP transacylase, FabD. Proc.Natl.Acad.Sci.USA, 117, 2020
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5LBX
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![BU of 5lbx by Molmil](/molmil-images/mine/5lbx) | Structure of the T175V Etr1p mutant in the trigonal form P312 in complex with NADP and crotonyl-CoA | Descriptor: | CHLORIDE ION, CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, ... | Authors: | Wagner, T, Rosenthal, R.G, Voegeli, B, Shima, S, Erb, T.J. | Deposit date: | 2016-06-17 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A conserved threonine prevents self-intoxication of enoyl-thioester reductases. Nat. Chem. Biol., 13, 2017
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6TZ0
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![BU of 6tz0 by Molmil](/molmil-images/mine/6tz0) | In situ structure of BmCPV RNA-dependent RNA polymerase at abortive state | Descriptor: | RNA-dependent RNA Polymerase, Viral structural protein 4 | Authors: | Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H. | Deposit date: | 2019-08-09 | Release date: | 2019-11-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Conservative transcription in three steps visualized in a double-stranded RNA virus. Nat.Struct.Mol.Biol., 26, 2019
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6U0H
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![BU of 6u0h by Molmil](/molmil-images/mine/6u0h) | Tubulin lattice of the ciliary doublet microtubule from Tetrahymena thermophila | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ichikawa, M, Khalifa, A.A.Z, Vargas, J, Basu, K, Bui, K.H. | Deposit date: | 2019-08-14 | Release date: | 2019-09-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Tubulin lattice in cilia is in a stressed form regulated by microtubule inner proteins. Proc.Natl.Acad.Sci.USA, 116, 2019
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6U0U
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![BU of 6u0u by Molmil](/molmil-images/mine/6u0u) | Protofilament Ribbon Flagellar Proteins Rib43a-L | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ichikawa, M, Khalifa, A.A.Z, Vargas, J, Basu, K, Bui, K.H. | Deposit date: | 2019-08-14 | Release date: | 2019-09-25 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | Tubulin lattice in cilia is in a stressed form regulated by microtubule inner proteins. Proc.Natl.Acad.Sci.USA, 116, 2019
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7M2K
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![BU of 7m2k by Molmil](/molmil-images/mine/7m2k) | CDC34A-Ubiquitin-2ab inhibitor complex | Descriptor: | 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide, Ubiquitin, Ubiquitin-conjugating enzyme E2 R1 | Authors: | Ceccarelli, D.F, St-Cyr, D, Tyers, M, Sicheri, F. | Deposit date: | 2021-03-16 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex. Sci Adv, 7, 2021
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5OVB
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![BU of 5ovb by Molmil](/molmil-images/mine/5ovb) | Crystal structure of human BRD4(1) bromodomain in complex with DR46 | Descriptor: | Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-08-28 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
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5L4S
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![BU of 5l4s by Molmil](/molmil-images/mine/5l4s) | Isopiperitenone reductase from Mentha piperita in complex with NADP and beta-Cyclocitral | Descriptor: | (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, beta-cyclocitral | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2016-05-26 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5L51
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5OU2
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![BU of 5ou2 by Molmil](/molmil-images/mine/5ou2) | M. thermoresistible IMPDH in complex with IMP and Compound 2 (NMR744) | Descriptor: | 4-(4-bromophenyl)-1H-imidazole, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2017-08-23 | Release date: | 2018-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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5VSU
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![BU of 5vsu by Molmil](/molmil-images/mine/5vsu) | Structure of yeast U6 snRNP with 2'-phosphate terminated U6 RNA | Descriptor: | Saccharomyces cerevisiae strain T8 chromosome XII sequence, U4/U6 snRNA-associated-splicing factor PRP24, U6 snRNA-associated Sm-like protein LSm2, ... | Authors: | Montemayor, E.J. | Deposit date: | 2017-05-12 | Release date: | 2018-05-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Architecture of the U6 snRNP reveals specific recognition of 3'-end processed U6 snRNA. Nat Commun, 9, 2018
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5OWW
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![BU of 5oww by Molmil](/molmil-images/mine/5oww) | Crystal structure of human BRD4(1) bromodomain in complex with UT22B | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-09-04 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
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5OU3
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![BU of 5ou3 by Molmil](/molmil-images/mine/5ou3) | M. thermoresistible IMPDH in complex with IMP and Compound 31 (AT080) | Descriptor: | (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2017-08-23 | Release date: | 2018-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
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4OYT
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![BU of 4oyt by Molmil](/molmil-images/mine/4oyt) | Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid | Descriptor: | (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | Deposit date: | 2014-02-13 | Release date: | 2014-12-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control. Acta Crystallogr.,Sect.D, 70, 2014
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