8CSC
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![BU of 8csc by Molmil](/molmil-images/mine/8csc) | WbbB D232N-Kdo adduct | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Forrester, T.J.B, Kimber, M.S. | Deposit date: | 2022-05-12 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
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5NKL
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![BU of 5nkl by Molmil](/molmil-images/mine/5nkl) | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dDs-dPxTP | Descriptor: | ACETATE ION, DNA (5'-D(*AP*AP*AP*(DNU)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Betz, K, Marx, A, Diederichs, K, Hirao, I, Kimoto, M. | Deposit date: | 2017-03-31 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Expansion of the Genetic Alphabet with an Artificial Nucleobase Pair. Angew. Chem. Int. Ed. Engl., 56, 2017
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8CSD
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![BU of 8csd by Molmil](/molmil-images/mine/8csd) | WbbB D232C Kdo adduct | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Forrester, T.J.B, Kimber, M.S. | Deposit date: | 2022-05-12 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
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6EF6
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![BU of 6ef6 by Molmil](/molmil-images/mine/6ef6) | Structure of the microcompartment-associated aminopropanol kinase | Descriptor: | (2R)-1-methoxypropan-2-amine, ACETATE ION, Aminoglycoside phosphotransferase, ... | Authors: | Mallette, E, Kimber, M.S. | Deposit date: | 2018-08-16 | Release date: | 2018-10-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and kinetic characterization of (S)-1-amino-2-propanol kinase from the aminoacetone utilization microcompartment ofMycobacterium smegmatis. J.Biol.Chem., 293, 2018
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8CSB
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![BU of 8csb by Molmil](/molmil-images/mine/8csb) | WbbB D232N in complex with CMP-beta-Kdo | Descriptor: | CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, CYTIDINE-5'-MONOPHOSPHATE, N-acetyl glucosaminyl transferase, ... | Authors: | Forrester, T.J.B, Kimber, M.S. | Deposit date: | 2022-05-12 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step. Nat Commun, 13, 2022
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6T1M
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![BU of 6t1m by Molmil](/molmil-images/mine/6t1m) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4 | Descriptor: | 1,2-ETHANEDIOL, 4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide, Protein ENL | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6T1N
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![BU of 6t1n by Molmil](/molmil-images/mine/6t1n) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 5 | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6T1O
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![BU of 6t1o by Molmil](/molmil-images/mine/6t1o) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 6 | Descriptor: | 1,2-ETHANEDIOL, 4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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1X0T
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![BU of 1x0t by Molmil](/molmil-images/mine/1x0t) | Crystal structure of ribonuclease P protein Ph1601p from Pyrococcus horikoshii OT3 | Descriptor: | Ribonuclease P protein component 4, ZINC ION | Authors: | Kakuta, Y, Ishimatsu, I, Numata, T, Kimura, K, Yao, M, Tanaka, I, Kimura, M. | Deposit date: | 2005-03-29 | Release date: | 2005-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of a Ribonuclease P Protein Ph1601p from Pyrococcus horikoshii OT3: An Archaeal Homologue of Human Nuclear Ribonuclease P Protein Rpp21(,) Biochemistry, 44, 2005
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1J1F
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![BU of 1j1f by Molmil](/molmil-images/mine/1j1f) | Crystal structure of the RNase MC1 mutant N71T in complex with 5'-GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE MC1 | Authors: | Numata, T, Suzuki, A, Kakuta, Y, Kimura, K, Yao, M, Tanaka, I, Yoshida, Y, Ueda, T, Kimura, M. | Deposit date: | 2002-12-03 | Release date: | 2003-05-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of the Ribonuclease MC1 Mutants N71T and N71S in Complex with 5'-GMP: Structural Basis for Alterations in Substrate Specificity Biochemistry, 42, 2003
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5JD6
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![BU of 5jd6 by Molmil](/molmil-images/mine/5jd6) | Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco | Descriptor: | MGS-MChE2 | Authors: | Stogios, P.J, Xu, X, Nocek, B, Yim, V, Cui, H, Martinez-Martinez, M, Golyshin, P.N, Yakima, M.M, Ferrer, M, Savchenko, A. | Deposit date: | 2016-04-15 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.463 Å) | Cite: | Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco To Be Published
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5JD5
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![BU of 5jd5 by Molmil](/molmil-images/mine/5jd5) | Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy | Descriptor: | CHLORIDE ION, MGS-MilE3 | Authors: | Stogios, P.J, Xu, X, Cui, H, Martinez-Martinez, M, Chernikova, T.N, Golyshin, P.N, Yakimov, M.M, Ferrer, M, Savchenko, A. | Deposit date: | 2016-04-15 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy To Be Published
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1J1G
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![BU of 1j1g by Molmil](/molmil-images/mine/1j1g) | Crystal structure of the RNase MC1 mutant N71S in complex with 5'-GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Ribonuclease MC1 | Authors: | Numata, T, Suzuki, A, Kakuta, Y, Kimura, K, Yao, M, Tanaka, I, Yoshida, Y, Ueda, T, Kimura, M. | Deposit date: | 2002-12-04 | Release date: | 2003-05-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of the Ribonuclease MC1 Mutants N71T and N71S in Complex with 5'-GMP: Structural Basis for Alterations in Substrate Specificity Biochemistry, 42, 2003
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5SUH
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![BU of 5suh by Molmil](/molmil-images/mine/5suh) | |
3VSN
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![BU of 3vsn by Molmil](/molmil-images/mine/3vsn) | The crystal structure of novel chondroition lyase ODV-E66, baculovirus envelope protein | Descriptor: | GLYCEROL, IODIDE ION, Occlusion-derived virus envelope protein E66 | Authors: | Kawaguchi, Y, Sugiura, N, Kimata, K, Kimura, M, Kakuta, Y. | Deposit date: | 2012-04-27 | Release date: | 2013-05-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of novel chondroition lyase ODV-E66, baculovirus envelope protein To be Published
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6MR1
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![BU of 6mr1 by Molmil](/molmil-images/mine/6mr1) | RbcS-like subdomain of CcmM | Descriptor: | CHLORIDE ION, COBALT (II) ION, Carbon dioxide concentrating mechanism protein, ... | Authors: | Ryan, P, Kimber, M.S. | Deposit date: | 2018-10-11 | Release date: | 2019-01-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The small RbcS-like domains of the beta-carboxysome structural protein CcmM bind RubisCO at a site distinct from that binding the RbcS subunit. J. Biol. Chem., 294, 2019
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2WD2
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![BU of 2wd2 by Molmil](/molmil-images/mine/2wd2) | A chimeric microtubule disruptor with efficacy on a taxane resistant cell line | Descriptor: | 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ... | Authors: | Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L. | Deposit date: | 2009-03-19 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Chimeric Microtubule Disruptors. Chem.Commun.(Camb.), 46, 2010
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6CI9
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![BU of 6ci9 by Molmil](/molmil-images/mine/6ci9) | |
5FOG
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![BU of 5fog by Molmil](/molmil-images/mine/5fog) | Crystal structure of hte Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of norvaline (Nv2AA) | Descriptor: | 1,2-ETHANEDIOL, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, ... | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | Deposit date: | 2015-11-20 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5L38
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![BU of 5l38 by Molmil](/molmil-images/mine/5l38) | |
6HT0
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![BU of 6ht0 by Molmil](/molmil-images/mine/6ht0) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94 | Descriptor: | 1,2-ETHANEDIOL, 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-10-02 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of an MLLT1/3 YEATS Domain Chemical Probe. Angew. Chem. Int. Ed. Engl., 57, 2018
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1V9H
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![BU of 1v9h by Molmil](/molmil-images/mine/1v9h) | Crystal structure of the RNase MC1 mutant Y101A in complex with 5'-UMP | Descriptor: | Ribonuclease MC, SULFATE ION, URIDINE-5'-MONOPHOSPHATE | Authors: | Kimura, K, Numata, T, Kakuta, Y, Kimura, M. | Deposit date: | 2004-01-26 | Release date: | 2004-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Amino acids conserved at the C-terminal half of the ribonuclease t2 family contribute to protein stability of the enzymes Biosci.Biotechnol.Biochem., 68, 2004
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1KJY
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![BU of 1kjy by Molmil](/molmil-images/mine/1kjy) | Crystal Structure of Human G[alpha]i1 Bound to the GoLoco Motif of RGS14 | Descriptor: | CESIUM ION, GUANINE NUCLEOTIDE-BINDING PROTEIN G(I), ALPHA-1 SUBUNIT, ... | Authors: | Kimple, R.J, Kimple, M.E, Betts, L, Sondek, J, Siderovski, D.P. | Deposit date: | 2001-12-05 | Release date: | 2002-05-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural determinants for GoLoco-induced inhibition of nucleotide release by Galpha subunits. Nature, 416, 2002
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1HYB
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![BU of 1hyb by Molmil](/molmil-images/mine/1hyb) | CRYSTAL STRUCTURE OF AN ACTIVE SITE MUTANT OF METHANOBACTERIUM THERMOAUTOTROPHICUM NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE, SULFATE ION | Authors: | Saridakis, V, Christendat, D, Kimber, M.S, Edwards, A.M, Pai, E.F. | Deposit date: | 2001-01-18 | Release date: | 2001-03-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into ligand binding and catalysis of a central step in NAD+ synthesis: structures of Methanobacterium thermoautotrophicum NMN adenylyltransferase complexes. J.Biol.Chem., 276, 2001
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6HT1
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![BU of 6ht1 by Molmil](/molmil-images/mine/6ht1) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92) | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-10-02 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of an MLLT1/3 YEATS Domain Chemical Probe. Angew. Chem. Int. Ed. Engl., 57, 2018
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