1Y45
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4XRL
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![BU of 4xrl by Molmil](/molmil-images/mine/4xrl) | Crystal structure at room temperature of Erk2 in complex with an inhibitor | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-21 | Release date: | 2016-03-23 | Last modified: | 2016-03-30 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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1Y4P
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1Y0A
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2FRV
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![BU of 2frv by Molmil](/molmil-images/mine/2frv) | CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | Authors: | Volbeda, A, Frey, M, Fontecilla-Camps, J.C. | Deposit date: | 1997-06-10 | Release date: | 1998-06-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structure of the [Nife] Hydrogenase Active Site: Evidence for Biologically Uncommon Fe Ligands J.Am.Chem.Soc., 118, 1996
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1Y46
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4PKW
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![BU of 4pkw by Molmil](/molmil-images/mine/4pkw) | Anthrax toxin lethal factor with bound small molecule inhibitor GM6001 | Descriptor: | 1,2-ETHANEDIOL, 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, GLYCEROL, ... | Authors: | Maize, K.M, De la Mora, T, Finzel, B.C. | Deposit date: | 2014-05-15 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding. Acta Crystallogr.,Sect.D, 70, 2014
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4XNC
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![BU of 4xnc by Molmil](/molmil-images/mine/4xnc) | Crystal structure at room temperature of cyclophilin D in complex with an inhibitor | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-15 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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6HJB
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![BU of 6hjb by Molmil](/molmil-images/mine/6hjb) | Xray structure of GLIC in complex with malonate | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Fourati, Z, Delarue, M. | Deposit date: | 2018-09-03 | Release date: | 2019-09-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel. Acta Crystallogr D Struct Biol, 76, 2020
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6HJZ
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![BU of 6hjz by Molmil](/molmil-images/mine/6hjz) | Xray structure of GLIC in complex with succinate | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Fourati, Z, Delarue, M. | Deposit date: | 2018-09-04 | Release date: | 2019-09-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel. Acta Crystallogr D Struct Biol, 76, 2020
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4PKQ
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![BU of 4pkq by Molmil](/molmil-images/mine/4pkq) | Anthrax toxin lethal factor with bound zinc | Descriptor: | 1,2-ETHANEDIOL, Lethal factor, TRIETHYLENE GLYCOL, ... | Authors: | Maize, K.M, Finzel, B.C. | Deposit date: | 2014-05-15 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding. Acta Crystallogr.,Sect.D, 70, 2014
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7VNA
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![BU of 7vna by Molmil](/molmil-images/mine/7vna) | drosophlia AHR PAS-B domain | Descriptor: | Ahr homolog spineless | Authors: | Dai, S.Y. | Deposit date: | 2021-10-10 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Structural insight into the ligand binding mechanism of aryl hydrocarbon receptor. Nat Commun, 13, 2022
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7VNH
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2BAY
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![BU of 2bay by Molmil](/molmil-images/mine/2bay) | Crystal structure of the Prp19 U-box dimer | Descriptor: | Pre-mRNA splicing factor PRP19 | Authors: | Vander Kooi, C.W, Ohi, M.D, Rosenberg, J.A, Oldham, M.L, Newcomer, M.E, Gould, K.L, Chazin, W.J. | Deposit date: | 2005-10-15 | Release date: | 2006-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Prp19 U-box Crystal Structure Suggests a Common Dimeric Architecture for a Class of Oligomeric E3 Ubiquitin Ligases. Biochemistry, 45, 2006
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6HSE
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![BU of 6hse by Molmil](/molmil-images/mine/6hse) | Structure of dithionite-reduced RsrR in spacegroup P2(1) | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Rrf2 family transcriptional regulator, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2018-10-01 | Release date: | 2019-01-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the Transcription Regulator RsrR Reveals a [2Fe-2S] Cluster Coordinated by Cys, Glu, and His Residues. J. Am. Chem. Soc., 141, 2019
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4JFU
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![BU of 4jfu by Molmil](/molmil-images/mine/4jfu) | Crystal structure of a bacterial fucosidase with iminosugar inhibitor | Descriptor: | (2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ... | Authors: | Wright, D.W, Davies, G.J. | Deposit date: | 2013-02-28 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies. Chemistry, 19, 2013
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6AVR
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![BU of 6avr by Molmil](/molmil-images/mine/6avr) | Human alpha-V beta-3 Integrin (intermediate conformation) in complex with the therapeutic antibody LM609 | Descriptor: | Fab LM609 heavy chain, Fab LM609 light chain, Integrin alpha-V, ... | Authors: | Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. | Deposit date: | 2017-09-04 | Release date: | 2017-11-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
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6AWF
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![BU of 6awf by Molmil](/molmil-images/mine/6awf) | Escherichia coli quinol:fumarate reductase crystallized without dicarboxylate | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iverson, T.M. | Deposit date: | 2017-09-05 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | New crystal forms of the integral membrane Escherichia coli quinol:fumarate reductase suggest that ligands control domain movement. J. Struct. Biol., 202, 2018
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1Y0C
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1Y4Q
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1Y5F
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1YEQ
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![BU of 1yeq by Molmil](/molmil-images/mine/1yeq) | T-To-T(High) quaternary transitions in human hemoglobin: betaW37Y OXY (10 test sets) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2004-12-28 | Release date: | 2005-01-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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1Y0W
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1Y22
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1YEU
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![BU of 1yeu by Molmil](/molmil-images/mine/1yeu) | T-To-T(High) quaternary transitions in human hemoglobin: betaW37G OXY (10 test sets) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2004-12-28 | Release date: | 2005-01-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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