6ZLJ
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![BU of 6zlj by Molmil](/molmil-images/mine/6zlj) | Crystal Structure of UDP-Glucuronic acid 4-epimerase Y149F mutant from Bacillus cereus in complex with UDP-4-DEOXY-4-FLUORO-Glucuronic acid and NAD | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Iacovino, L.G, Mattevi, A. | Deposit date: | 2020-06-30 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction. J.Biol.Chem., 295, 2020
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8RRY
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![BU of 8rry by Molmil](/molmil-images/mine/8rry) | Crystal structure of copper-loaded SmAA10 | Descriptor: | CBP21, CITRIC ACID, COPPER (II) ION, ... | Authors: | Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C. | Deposit date: | 2024-01-24 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.45561326 Å) | Cite: | Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens. Inorg.Chem., 63, 2024
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6ZLD
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![BU of 6zld by Molmil](/molmil-images/mine/6zld) | Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Glucuronic acid and NAD | Descriptor: | Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | Authors: | Iacovino, L.G, Savino, S, Mattevi, A. | Deposit date: | 2020-06-30 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction. J.Biol.Chem., 295, 2020
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6ZLL
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![BU of 6zll by Molmil](/molmil-images/mine/6zll) | Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Galacturonic acid and NAD | Descriptor: | (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Iacovino, L.G, Savino, S, Mattevi, A. | Deposit date: | 2020-06-30 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction. J.Biol.Chem., 295, 2020
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1MQI
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![BU of 1mqi by Molmil](/molmil-images/mine/1mqi) | Crystal Structure of the GluR2 Ligand Binding Core (S1S2J) in Complex with Fluoro-Willardiine at 1.35 Angstroms Resolution | Descriptor: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, glutamate receptor 2 | Authors: | Jin, R, Banke, T.G, Mayer, M.L, Traynelis, S.F, Gouaux, E. | Deposit date: | 2002-09-16 | Release date: | 2003-08-05 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural basis for partial agonist action at ionotropic glutamate receptors Nat.Neurosci., 6, 2003
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3B1M
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![BU of 3b1m by Molmil](/molmil-images/mine/3b1m) | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Cerco-A | Descriptor: | (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | Authors: | Matsui, Y, Hiroyuki, H. | Deposit date: | 2011-07-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pharmacology and in Vitro Profiling of a Novel Peroxisome Proliferator-Activated Receptor gamma Ligand, Cerco-A Biol.Pharm.Bull., 34, 2011
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1LYX
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![BU of 1lyx by Molmil](/molmil-images/mine/1lyx) | Plasmodium Falciparum Triosephosphate Isomerase (PfTIM)-Phosphoglycolate complex | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate Isomerase | Authors: | Parthasarathy, S, Balaram, H, Balaram, P, Murthy, M.R. | Deposit date: | 2002-06-10 | Release date: | 2003-01-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Plasmodium falciparum triosephosphate isomerase-phosphoglycolate complex in two crystal forms: characterization of catalytic loop open and closed conformations in the ligand-bound state Biochemistry, 41, 2002
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6ZL6
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![BU of 6zl6 by Molmil](/molmil-images/mine/6zl6) | |
8GRJ
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![BU of 8grj by Molmil](/molmil-images/mine/8grj) | Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone | Descriptor: | D-glucono-1,5-lactone, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Yoshida, H, Kojima, K, Tsugawa, W, Okuda-Shimazaki, J, Kerrigan, J.A, Sode, K. | Deposit date: | 2022-09-01 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone To Be Published
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7ONP
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![BU of 7onp by Molmil](/molmil-images/mine/7onp) | Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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4JLT
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![BU of 4jlt by Molmil](/molmil-images/mine/4jlt) | Crystal structure of P450 2B4(H226Y) in complex with paroxetine | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, GLYCEROL, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2013-03-13 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. J.Pharmacol.Exp.Ther., 346, 2013
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1MQJ
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![BU of 1mqj by Molmil](/molmil-images/mine/1mqj) | Crystal structure of the GluR2 ligand binding core (S1S2J) in complex with willardiine at 1.65 angstroms resolution | Descriptor: | 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, ZINC ION, glutamate receptor 2 | Authors: | Jin, R, Banke, T.G, Mayer, M.L, Traynelis, S.F, Gouaux, E. | Deposit date: | 2002-09-16 | Release date: | 2003-08-05 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for partial agonist action at ionotropic glutamate receptors Nat.Neurosci., 6, 2003
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4TZU
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![BU of 4tzu by Molmil](/molmil-images/mine/4tzu) | Crystal Structure of Murine Cereblon in Complex with Pomalidomide | Descriptor: | Protein cereblon, S-Pomalidomide, SULFATE ION, ... | Authors: | Chamberlain, P.P, Pagarigan, B, Delker, S, Leon, B. | Deposit date: | 2014-07-10 | Release date: | 2014-08-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex to be published
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5ZWH
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![BU of 5zwh by Molmil](/molmil-images/mine/5zwh) | Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having an ene-ynone group via conjugate addition reaction | Descriptor: | (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one, (E,2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, ... | Authors: | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | Deposit date: | 2018-05-15 | Release date: | 2018-07-18 | Last modified: | 2018-08-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands J. Med. Chem., 61, 2018
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8OP9
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![BU of 8op9 by Molmil](/molmil-images/mine/8op9) | CryoEM structure of human rho1 GABAA receptor in complex with GABA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-06 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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3BKS
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![BU of 3bks by Molmil](/molmil-images/mine/3bks) | |
7QRI
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![BU of 7qri by Molmil](/molmil-images/mine/7qri) | Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe | Descriptor: | PHENYLALANINE, Tryptophan 5-hydroxylase 2 | Authors: | Vedel, I.M, Prestel, A, Harris, P, Peters, G.H.J, Kragelund, B.B. | Deposit date: | 2022-01-11 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural characterization of human tryptophan hydroxylase 2 reveals that L-Phe is superior to L-Trp as the regulatory domain ligand. Structure, 31, 2023
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5WLO
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![BU of 5wlo by Molmil](/molmil-images/mine/5wlo) | a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-07-27 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands. Bioorg. Med. Chem. Lett., 27, 2017
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4TZC
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![BU of 4tzc by Molmil](/molmil-images/mine/4tzc) | Crystal Structure of Murine Cereblon in Complex with Thalidomide | Descriptor: | Protein cereblon, S-Thalidomide, SULFATE ION, ... | Authors: | Chamberlain, P.P, Pagarigan, B, Delker, S, Leon, B. | Deposit date: | 2014-07-10 | Release date: | 2014-08-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex to be published
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5ZWE
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![BU of 5zwe by Molmil](/molmil-images/mine/5zwe) | Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a vinyl ketone group via conjugate addition reaction | Descriptor: | (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor | Authors: | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | Deposit date: | 2018-05-15 | Release date: | 2018-07-18 | Last modified: | 2018-08-08 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands J. Med. Chem., 61, 2018
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4XCP
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![BU of 4xcp by Molmil](/molmil-images/mine/4xcp) | Fatty Acid and Retinol binding protein Na-FAR-1 from Necator americanus | Descriptor: | Nematode fatty acid retinoid binding protein, PALMITIC ACID | Authors: | Gabrielsen, M, Rey-Burusco, M.F, Ibanez-Shimabukuro, M, Griffiths, K, Kennedy, M.W, Corsico, B, Smith, B.O. | Deposit date: | 2014-12-18 | Release date: | 2015-09-16 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Diversity in the structures and ligand-binding sites of nematode fatty acid and retinol-binding proteins revealed by Na-FAR-1 from Necator americanus. Biochem.J., 471, 2015
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7ONM
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![BU of 7onm by Molmil](/molmil-images/mine/7onm) | Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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7ONQ
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![BU of 7onq by Molmil](/molmil-images/mine/7onq) | Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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7ONV
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![BU of 7onv by Molmil](/molmil-images/mine/7onv) | Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-26 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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2P70
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![BU of 2p70 by Molmil](/molmil-images/mine/2p70) | |