6AGQ
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![BU of 6agq by Molmil](/molmil-images/mine/6agq) | Acetyl xylan esterase from Paenibacillus sp. R4 | Descriptor: | ZINC ION, acetyl xylan esterase | Authors: | Park, S, Lee, C.W, Lee, J.H. | Deposit date: | 2018-08-13 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and functional characterization of a cold-active acetyl xylan esterase (PbAcE) from psychrophilic soil microbe Paenibacillus sp. PLoS ONE, 13, 2018
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6AK4
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![BU of 6ak4 by Molmil](/molmil-images/mine/6ak4) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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3NWT
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![BU of 3nwt by Molmil](/molmil-images/mine/3nwt) | Crystal structure of the N-terminal domain of the yeast telomere-binding and telomerase regulatory protein Cdc13 | Descriptor: | Cell division control protein 13 | Authors: | Mitchell, M.T, Smith, J.S, Mason, M, Harper, S, Speicher, D.W, Johnson, F.B, Skordalakes, E. | Deposit date: | 2010-07-10 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cdc13 N-terminal dimerization, DNA binding, and telomere length regulation. Mol.Cell.Biol., 30, 2010
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5LIE
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1IFT
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![BU of 1ift by Molmil](/molmil-images/mine/1ift) | RICIN A-CHAIN (RECOMBINANT) | Descriptor: | RICIN | Authors: | Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A. | Deposit date: | 1996-07-05 | Release date: | 1998-01-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structure of recombinant ricin A-chain at 1.8 A resolution. J.Mol.Biol., 244, 1994
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7ZPB
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![BU of 7zpb by Molmil](/molmil-images/mine/7zpb) | Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2022-04-27 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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6AJJ
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![BU of 6ajj by Molmil](/molmil-images/mine/6ajj) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38 | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | Deposit date: | 2018-08-27 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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8CTM
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8A5Z
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4Q8K
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![BU of 4q8k by Molmil](/molmil-images/mine/4q8k) | Crystal structure of polysaccharide lyase family 18 aly-SJ02 P-CATD | Descriptor: | Alginase, CALCIUM ION, SULFATE ION | Authors: | Dong, S, Li, C.Y, Zhang, Y.Z. | Deposit date: | 2014-04-28 | Release date: | 2014-09-17 | Last modified: | 2015-11-25 | Method: | X-RAY DIFFRACTION (1.646 Å) | Cite: | Molecular insight into the role of the N-terminal extension in the maturation, substrate recognition, and catalysis of a bacterial alginate lyase from polysaccharide lyase family 18. J.Biol.Chem., 289, 2014
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5LUH
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![BU of 5luh by Molmil](/molmil-images/mine/5luh) | AadA E87Q in complex with ATP, calcium and streptomycin | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Stern, A.L, Van der Verren, S.E, Selmer, M. | Deposit date: | 2016-09-08 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica. J.Biol.Chem., 293, 2018
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3NXT
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![BU of 3nxt by Molmil](/molmil-images/mine/3nxt) | Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E-and Z-isomers of a Series of 5-substituted 2,4-diaminofuro[2m,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | Descriptor: | 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V. | Deposit date: | 2010-07-14 | Release date: | 2010-12-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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5LK0
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5LV4
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![BU of 5lv4 by Molmil](/molmil-images/mine/5lv4) | Crystal structure of mouse PRMT6 in complex with inhibitor LH1236 | Descriptor: | (2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid, Protein arginine N-methyltransferase 6 | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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5LBZ
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![BU of 5lbz by Molmil](/molmil-images/mine/5lbz) | Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib | Descriptor: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Schneider, S, Medard, G, Kuster, B. | Deposit date: | 2016-06-17 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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8D1U
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![BU of 8d1u by Molmil](/molmil-images/mine/8d1u) | E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) with an acetylated cysteine and in complex with oxa(dethia)-Coenzyme A | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, CHLORIDE ION, oxa(dethia)-CoA | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | Deposit date: | 2022-05-27 | Release date: | 2022-06-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-ketoacylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(dethia)CoA. Acta Crystallogr.,Sect.F, 79, 2023
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5LBY
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![BU of 5lby by Molmil](/molmil-images/mine/5lby) | Structure of the human quinone reductase 2 (NQO2) in complex with crenolanib | Descriptor: | 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Schneider, S, Medard, G, Kuester, B. | Deposit date: | 2016-06-17 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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5LD2
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![BU of 5ld2 by Molmil](/molmil-images/mine/5ld2) | Cryo-EM structure of RecBCD+DNA complex revealing activated nuclease domain | Descriptor: | Fork-Hairpin DNA (70-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Wilkinson, M, Chaban, Y, Wigley, D.B. | Deposit date: | 2016-06-23 | Release date: | 2016-10-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.83 Å) | Cite: | Mechanism for nuclease regulation in RecBCD. Elife, 5, 2016
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8CW0
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![BU of 8cw0 by Molmil](/molmil-images/mine/8cw0) | 20us Temperature-Jump (Light) XFEL structure of Lysozyme | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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8CWH
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![BU of 8cwh by Molmil](/molmil-images/mine/8cwh) | 200us Temperature-Jump (Dark2) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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8CW7
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![BU of 8cw7 by Molmil](/molmil-images/mine/8cw7) | 200us Temperature-Jump (Dark2) XFEL structure of Lysozyme | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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8DB5
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![BU of 8db5 by Molmil](/molmil-images/mine/8db5) | Crystal structure of the GDP-D-glycero-4-keto-d-lyxo-heptose-3,5-epimerase from Campylobacter jejuni, serotype HS:15 | Descriptor: | CHLORIDE ION, GDP-D-glycero-4-keto-d-lyxo-heptose-3,5-epimerase, GUANOSINE-5'-DIPHOSPHATE | Authors: | Thoden, J.B, Ghosh, M.K, Xiang, D.F, Raushel, F.M, Holden, H.M. | Deposit date: | 2022-06-14 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | C3- and C3/C5-Epimerases Required for the Biosynthesis of the Capsular Polysaccharides from Campylobacter jejuni . Biochemistry, 61, 2022
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1IK6
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![BU of 1ik6 by Molmil](/molmil-images/mine/1ik6) | |
8CVU
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![BU of 8cvu by Molmil](/molmil-images/mine/8cvu) | 20ns Temperature-Jump (Light) XFEL structure of Lysozyme | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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8CW6
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![BU of 8cw6 by Molmil](/molmil-images/mine/8cw6) | 200us Temperature-Jump (Dark1) XFEL structure of Lysozyme | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
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