6V2L
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![BU of 6v2l by Molmil](/molmil-images/mine/6v2l) | E. coli Phosphoenolpyruvate carboxykinase S250A | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Sokaribo, A.S, Goldie, H, Sanders, D. | Deposit date: | 2019-11-25 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants. Biochim Biophys Acta Gen Subj, 1864, 2020
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5YIN
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8DHH
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![BU of 8dhh by Molmil](/molmil-images/mine/8dhh) | DHODH IN COMPLEX WITH LIGAND 29 | Descriptor: | (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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2YN6
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![BU of 2yn6 by Molmil](/molmil-images/mine/2yn6) | Pentameric Ligand-Gated Ion Channel ELIC in Complex with Barium | Descriptor: | BARIUM ION, PENTAMERIC LIGAND-GATED ION CHANNEL ELIC | Authors: | Zimmermann, I, Marabelli, A, Bertozzi, C, Sivilotti, L.G, Dutzler, R. | Deposit date: | 2012-10-12 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Inhibition of the Prokaryotic Pentameric Ligand-Gated Ion Channel Elic by Divalent Cations. Plos Biol., 10, 2012
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8J8F
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![BU of 8j8f by Molmil](/molmil-images/mine/8j8f) | Monkeypox virus DNA replication holoenzyme F8, A22 and E4 in complex with a DNA duplex and dCTP | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*AP*GP*CP*TP*GP*CP*TP*AP*TP*GP*AP*GP*AP*TP*TP*AP*AP*GP*TP*TP*AP*T)-3'), ... | Authors: | Xu, Y, Wu, Y, Wu, X, Zhang, Y, Yang, Y, Li, D, Yang, B, Gao, K, Zhang, Z, Dong, C. | Deposit date: | 2023-05-01 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural basis of human mpox viral DNA replication inhibition by brincidofovir and cidofovir. Int.J.Biol.Macromol., 270, 2024
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2YKK
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![BU of 2ykk by Molmil](/molmil-images/mine/2ykk) | Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CEL44C, ... | Authors: | Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G. | Deposit date: | 2011-05-27 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44. J.Biol.Chem., 286, 2011
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7JWV
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![BU of 7jwv by Molmil](/molmil-images/mine/7jwv) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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6UZI
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1KR2
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![BU of 1kr2 by Molmil](/molmil-images/mine/1kr2) | CRYSTAL STRUCTURE OF HUMAN NMN/NAMN ADENYLYL TRANSFERASE COMPLEXED WITH TIAZOFURIN ADENINE DINUCLEOTIDE (TAD) | Descriptor: | BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE | Authors: | Zhou, T, Kurnasov, O, Tomchick, D.R, Binns, D.D, Grishin, N.V, Marquez, V.E, Osterman, A.L, Zhang, H. | Deposit date: | 2002-01-08 | Release date: | 2003-01-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Hhuman of Nicotinamide/Nicotinic Acid Mononucleotide Adenylyltransferase.
Basis for the dual substrate specificity and activation of the oncolytic agent tiazofurin. J.Biol.Chem., 277, 2002
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8DCW
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![BU of 8dcw by Molmil](/molmil-images/mine/8dcw) | Lysozyme cluster 0062 (NAG and benzamidine ligands) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
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7JY7
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![BU of 7jy7 by Molmil](/molmil-images/mine/7jy7) | Structure of a 12 base pair RecA-D loop complex | Descriptor: | DNA (27-MER), DNA (48-MER), MAGNESIUM ION, ... | Authors: | Pavletich, N.P. | Deposit date: | 2020-08-29 | Release date: | 2020-11-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of strand exchange from RecA-DNA synaptic and D-loop structures. Nature, 586, 2020
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1S40
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![BU of 1s40 by Molmil](/molmil-images/mine/1s40) | SOLUTION STRUCTURE OF THE CDC13 DNA-BINDING DOMAIN COMPLEXED WITH A SINGLE-STRANDED TELOMERIC DNA 11-MER | Descriptor: | 5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3', Cell division control protein 13 | Authors: | Mitton-Fry, R.M, Anderson, E.M, Theobald, D.L, Glustrom, L.W, Wuttke, D.S. | Deposit date: | 2004-01-14 | Release date: | 2004-05-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural basis for telomeric single-stranded DNA recognition by yeast Cdc13 J.Mol.Biol., 338, 2004
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8DCU
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![BU of 8dcu by Molmil](/molmil-images/mine/8dcu) | Lysozyme cluster 0028 (benzamidine ligand) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, BENZAMIDINE, CHLORIDE ION, ... | Authors: | Soares, A.S, Yamada, Y, Jakoncic, J, Schneider, D.K, Bernstein, H.J. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial crystallography with multi-stage merging of thousands of images. Acta Crystallogr.,Sect.F, 78, 2022
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7ZQ0
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![BU of 7zq0 by Molmil](/molmil-images/mine/7zq0) | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (1000 frames) | Descriptor: | Endo-1,4-beta-xylanase | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | Deposit date: | 2022-04-29 | Release date: | 2022-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
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1A4P
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![BU of 1a4p by Molmil](/molmil-images/mine/1a4p) | P11 (S100A10), LIGAND OF ANNEXIN II | Descriptor: | S100A10 | Authors: | Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A. | Deposit date: | 1998-01-30 | Release date: | 1998-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The crystal structure of a complex of p11 with the annexin II N-terminal peptide. Nat.Struct.Biol., 6, 1999
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6V0Z
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![BU of 6v0z by Molmil](/molmil-images/mine/6v0z) | Structure of ALDH7A1 mutant R441C complexed with NAD | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Korasick, D.A, Tanner, J.J. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Biochemical, structural, and computational analyses of two new clinically identified missense mutations of ALDH7A1. Chem.Biol.Interact., 2024
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1KX9
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![BU of 1kx9 by Molmil](/molmil-images/mine/1kx9) | ANTENNAL CHEMOSENSORY PROTEIN A6 FROM THE MOTH MAMESTRA BRASSICAE | Descriptor: | ACETATE ION, CHEMOSENSORY PROTEIN A6 | Authors: | Lartigue, A, Campanacci, V, Roussel, A, Larsson, A.M, Jones, T.A, Tegoni, M, Cambillau, C. | Deposit date: | 2002-01-31 | Release date: | 2002-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-ray structure and ligand binding study of a moth chemosensory protein J.Biol.Chem., 277, 2002
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5SYA
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5JM4
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![BU of 5jm4 by Molmil](/molmil-images/mine/5jm4) | Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | Deposit date: | 2016-04-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions. J. Med. Chem., 60, 2017
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2YNH
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![BU of 2ynh by Molmil](/molmil-images/mine/2ynh) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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8J8W
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![BU of 8j8w by Molmil](/molmil-images/mine/8j8w) | Crystal structure of AtHPPD-Y19788 complex | Descriptor: | 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | Deposit date: | 2023-05-02 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Crystal structure of AtHPPD-Y19788 complex To Be Published
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8D46
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5Y3X
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![BU of 5y3x by Molmil](/molmil-images/mine/5y3x) | Crystal structure of endo-1,4-beta-xylanase from Caldicellulosiruptor owensensis | Descriptor: | Beta-xylanase | Authors: | Liu, X, Sun, L.C, Zhang, Y.B, Liu, T.F, Xin, F.J. | Deposit date: | 2017-07-31 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights into the Thermophilic Adaption Mechanism of Endo-1,4-beta-Xylanase from Caldicellulosiruptor owensensis. J. Agric. Food Chem., 66, 2018
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8DHG
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![BU of 8dhg by Molmil](/molmil-images/mine/8dhg) | DHODH IN COMPLEX WITH LIGAND 19 | Descriptor: | (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2022-06-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
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5Y5I
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![BU of 5y5i by Molmil](/molmil-images/mine/5y5i) | Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
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