1Y0D
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1Y5J
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1Y0T
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1Y4B
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7RNO
| Model of the Ac-6-FP/hpMR1/bB2m/TAPBPR complex from integrated docking, NMR and restrained MD | Descriptor: | Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ... | Authors: | McShan, A.C, Sgourakis, N.G. | Deposit date: | 2021-07-29 | Release date: | 2022-05-11 | Last modified: | 2022-08-10 | Method: | SOLUTION NMR | Cite: | TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules. Nat.Chem.Biol., 18, 2022
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4XP3
| Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.782 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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1YGD
| T-To-T(High) quaternary transitions in human hemoglobin: betaW37E alpha zinc beta oxy (10 TEST SETS) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2005-01-04 | Release date: | 2005-01-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.73 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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6HJI
| Xray structure of GLIC in complex with crotonate | Descriptor: | BUTENOIC ACID, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Fourati, Z, Delarue, M. | Deposit date: | 2018-09-03 | Release date: | 2019-09-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.8 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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4PKR
| Anthrax toxin lethal factor with bound small molecule inhibitor 10 | Descriptor: | CHLORIDE ION, GLYCEROL, Lethal factor, ... | 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 (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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6ALD
| RABBIT MUSCLE ALDOLASE A/FRUCTOSE-1,6-BISPHOSPHATE COMPLEX | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-1,6-BIS(PHOSPHATE) ALDOLASE | Authors: | Choi, K.H, Mazurkie, A.S, Morris, A.J, Utheza, D, Tolan, D.R, Allen, K.N. | Deposit date: | 1998-12-23 | Release date: | 2000-01-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a fructose-1,6-bis(phosphate) aldolase liganded to its natural substrate in a cleavage-defective mutant at 2.3 A(,). Biochemistry, 38, 1999
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4PKU
| Anthrax toxin lethal factor with bound small molecule inhibitor 15 | Descriptor: | Lethal factor, N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION | 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 (2.4 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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7VWA
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7VW8
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4Y24
| Complex of human Galectin-1 and TD-139 | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-1 | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors. Sci Rep, 6, 2016
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6HJ3
| Xray structure of GLIC in complex with fumarate | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Fourati, Z, Delarue, M. | Deposit date: | 2018-08-31 | Release date: | 2019-09-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 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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1YEV
| T-To-T(High) quaternary transitions in human hemoglobin: betaW37E 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 (2.11 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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1Y31
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1Y4G
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1Y35
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7VW9
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1YEO
| T-To-T(High) quaternary transitions in human hemoglobin: betaW37A 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: | 2005-02-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.22 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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1Y4F
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1Y4V
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6HSM
| Structure of partially reduced RsrR in space group P2(1)2(1)2(1) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2018-10-01 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 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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1Y85
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