1HXM
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![BU of 1hxm by Molmil](/molmil-images/mine/1hxm) | Crystal Structure of a Human Vgamma9/Vdelta2 T Cell Receptor | Descriptor: | GAMMA-DELTA T-CELL RECEPTOR, SULFATE ION | Authors: | Allison, T.J, Winter, C.C, Fournie, J.J, Bonneville, M, Garboczi, D.N. | Deposit date: | 2001-01-16 | Release date: | 2001-06-20 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure of a human gammadelta T-cell antigen receptor. Nature, 411, 2001
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6R1O
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![BU of 6r1o by Molmil](/molmil-images/mine/6r1o) | Crystal structure of E. coli seryl-tRNA synthetase complexed to a seryl sulfamoyl adenosine derivative | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Salimraj, R, Cain, R, Roper, D.I. | Deposit date: | 2019-03-14 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase. J.Med.Chem., 62, 2019
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6R1M
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![BU of 6r1m by Molmil](/molmil-images/mine/6r1m) | Crystal structure of E. coli seryl-tRNA synthetase complexed to seryl sulfamoyl adenosine | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, PHOSPHATE ION, ... | Authors: | Salimraj, R, Cain, R, Roper, D.I. | Deposit date: | 2019-03-14 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase. J.Med.Chem., 62, 2019
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2FTM
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![BU of 2ftm by Molmil](/molmil-images/mine/2ftm) | Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Hanson, W.M, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2006-01-24 | Release date: | 2006-02-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Rigidification of a Flexible Protease Inhibitor Variant upon Binding to Trypsin. J.Mol.Biol., 366, 2007
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2XOD
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![BU of 2xod by Molmil](/molmil-images/mine/2xod) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the oxidised form | Descriptor: | CACODYLATE ION, FLAVIN MONONUCLEOTIDE, NRDI PROTEIN, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
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6WXN
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![BU of 6wxn by Molmil](/molmil-images/mine/6wxn) | EGFR(T790M/V948R) in complex with LN3844 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2020-05-11 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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5E6F
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![BU of 5e6f by Molmil](/molmil-images/mine/5e6f) | Canarypox virus resolvase | Descriptor: | CNPV261 Holliday junction resolvase protein, D(-)-TARTARIC ACID, MAGNESIUM ION | Authors: | Li, H, Hwang, Y, Perry, K, Bushman, F.D, Van Duyne, G.D. | Deposit date: | 2015-10-09 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Metal Binding Properties of a Poxvirus Resolvase. J.Biol.Chem., 291, 2016
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2XOI
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![BU of 2xoi by Molmil](/molmil-images/mine/2xoi) | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A | Descriptor: | (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC | Authors: | Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R. | Deposit date: | 2010-08-17 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A. FEBS J., 278, 2011
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2G1O
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1W9A
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![BU of 1w9a by Molmil](/molmil-images/mine/1w9a) | Crystal structure of Rv1155 from Mycobacterium tuberculosis | Descriptor: | PUTATIVE PYRIDOXINE/PYRIDOXAMINE 5'-PHOSPHATE OXIDASE | Authors: | Cannan, S, Sulzenbacher, G, Roig-Zamboni, V, Scappuccini, L, Frassinetti, F, Maurien, D, Cambillau, C, Bourne, Y. | Deposit date: | 2004-10-07 | Release date: | 2005-01-06 | Last modified: | 2013-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Conserved Hypothetical Protein Rv1155 from Mycobacterium Tuberculosis FEBS Lett., 579, 2005
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5VRT
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![BU of 5vrt by Molmil](/molmil-images/mine/5vrt) | Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Co-bound FeBMb | Descriptor: | COBALT (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. | Deposit date: | 2017-05-11 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism. J. Am. Chem. Soc., 139, 2017
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3U5N
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2Y1N
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![BU of 2y1n by Molmil](/molmil-images/mine/2y1n) | Structure of c-Cbl-ZAP-70 peptide complex | Descriptor: | CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE, TYROSINE-PROTEIN KINASE ZAP-70 ZAP-70,70 KDA ZETA-ASSOCIATED PROTEIN, ... | Authors: | Dou, H, Sibbet, G.J, Huang, D.T. | Deposit date: | 2010-12-08 | Release date: | 2012-01-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl. Nat.Struct.Mol.Biol., 19, 2012
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3U64
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![BU of 3u64 by Molmil](/molmil-images/mine/3u64) | The Crystal Structure of Tat-T (Tp0956) | Descriptor: | Protein TP_0956, SULFATE ION | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2011-10-12 | Release date: | 2012-02-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural, Bioinformatic, and In Vivo Analyses of Two Treponema pallidum Lipoproteins Reveal a Unique TRAP Transporter. J.Mol.Biol., 416, 2012
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3U4Q
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![BU of 3u4q by Molmil](/molmil-images/mine/3u4q) | Structure of AddAB-DNA complex at 2.8 angstroms | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent helicase/deoxyribonuclease subunit B, ATP-dependent helicase/nuclease subunit A, ... | Authors: | Saikrishnan, K, Krajewski, W, Wigley, D. | Deposit date: | 2011-10-10 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into Chi recognition from the structure of an AddAB-type helicase-nuclease complex. Embo J., 31, 2012
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8GER
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![BU of 8ger by Molmil](/molmil-images/mine/8ger) | E. eligens beta-glucuronidase bound to norquetiapine-glucuronide | Descriptor: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, Beta-glucuronidase | Authors: | Simpson, J.B, Lietzan, A.D, Redinbo, M.R. | Deposit date: | 2023-03-07 | Release date: | 2024-03-20 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics. Cell Host Microbe, 32, 2024
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1I1O
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4F4R
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![BU of 4f4r by Molmil](/molmil-images/mine/4f4r) | Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop | Descriptor: | CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2012-05-11 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop to be published
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5L2M
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![BU of 5l2m by Molmil](/molmil-images/mine/5l2m) | Structure of ALDH1A1 in complex with BUC11 | Descriptor: | 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2016-08-02 | Release date: | 2017-03-08 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J. Med. Chem., 60, 2017
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6WX1
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![BU of 6wx1 by Molmil](/molmil-images/mine/6wx1) | Antigen Binding Fragment of OKT9 | Descriptor: | GLYCEROL, OKT9 Fab Heavy Chain, OKT9 Fab Light Chain | Authors: | Rodriguez, J.A, Helguera, G, Sawaya, M, Cascio, D, Collazo, M, Flores, M, Zink, S, Ferrero, S, Payes, C, Fuentes, D, Short, C. | Deposit date: | 2020-05-09 | Release date: | 2021-05-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antibody-Based Inhibition of Pathogenic New World Hemorrhagic Fever Mammarenaviruses by Steric Occlusion of the Human Transferrin Receptor 1 Apical Domain. J.Virol., 95, 2021
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7MJC
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![BU of 7mjc by Molmil](/molmil-images/mine/7mjc) | Crystal Structure Analysis of ALDH1B1 | Descriptor: | Aldehyde dehydrogenase X, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Fernandez, D, Chen, J.K. | Deposit date: | 2021-04-20 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
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7MJD
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![BU of 7mjd by Molmil](/molmil-images/mine/7mjd) | Crystal Structure Analysis of ALDH1B1 | Descriptor: | 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene, Aldehyde dehydrogenase X, mitochondrial, ... | Authors: | Fernandez, D, Chen, J.K. | Deposit date: | 2021-04-20 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
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2Y5Z
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![BU of 2y5z by Molmil](/molmil-images/mine/2y5z) | Mixed-function P450 MycG in complex with mycinamicin III in C2221 space group | Descriptor: | BENZAMIDINE, GLYCEROL, MYCINAMICIN III, ... | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | Deposit date: | 2011-01-19 | Release date: | 2012-02-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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2XFQ
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![BU of 2xfq by Molmil](/molmil-images/mine/2xfq) | Rasagiline-inhibited human monoamine oxidase B in complex with 2-(2- benzofuranyl)-2-imidazoline | Descriptor: | (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine, 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, Amine oxidase [flavin-containing] B, ... | Authors: | Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A. | Deposit date: | 2010-05-26 | Release date: | 2010-10-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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2XN4
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![BU of 2xn4 by Molmil](/molmil-images/mine/2xn4) | Crystal structure of the kelch domain of human KLHL2 (Mayven) | Descriptor: | 1,2-ETHANEDIOL, KELCH-LIKE PROTEIN 2, SODIUM ION, ... | Authors: | Canning, P, Hozjan, V, Cooper, C.D.O, Ayinampudi, V, Vollmar, M, Pike, A.C.W, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2010-07-30 | Release date: | 2010-08-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases. J.Biol.Chem., 288, 2013
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