3PCB
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYBENZOATE | Descriptor: | 3-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-25 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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4JMZ
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8G2N
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2R52
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5WIN
| JAK2 Pseudokinase in complex with JNJ7706621 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Li, Q, Eck, M.J, Li, K, Park, E. | Deposit date: | 2017-07-19 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
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7JWR
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7JX2
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7JVG
| Cellular retinol-binding protein 2 (CRBP2) in complex with 1-arachidonoylglycerol | Descriptor: | (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, Retinol-binding protein 2 | Authors: | Silvaroli, J.A, Golczak, M. | Deposit date: | 2020-08-21 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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7JVY
| Cellular retinol-binding protein 2 (CRBP2) in complex with 2-arachidonylglyceryl ether | Descriptor: | 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol, Retinol-binding protein 2 | Authors: | Silvaroli, J.A, Banarjee, S, Golczak, M. | Deposit date: | 2020-08-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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7JWD
| Cellular retinol-binding protein 2 (CRBP2) in complex with 2-linoleoylglycerol | Descriptor: | 1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate, Retinol-binding protein 2 | Authors: | Silvaroli, J.A, Banarjee, S, Golczak, M. | Deposit date: | 2020-08-25 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35000193 Å) | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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7K3I
| Cellular retinol-binding protein 2 (CRBP2) in complex with 2-lauroylglycerol | Descriptor: | 1,3-dihydroxypropan-2-yl dodecanoate, Retinol-binding protein 2 | Authors: | Adams, C, Silvaroli, J.A, Banarjee, S, Golczak, M. | Deposit date: | 2020-09-11 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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7JZ5
| Cellular retinol-binding protein 2 (CRBP2) in complex with 1-arachodonoyl-1-thio-glycerol | Descriptor: | Retinol-binding protein 2, S-[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | Authors: | Silvaroli, J.A, Banarjee, S, Golczak, M. | Deposit date: | 2020-09-01 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.567 Å) | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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2G50
| The location of the allosteric amino acid binding site of muscle pyruvate kinase. | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ALANINE, ... | Authors: | Holyoak, T, Williams, R, Fenton, A.W. | Deposit date: | 2006-02-22 | Release date: | 2006-05-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Differentiating a Ligand's Chemical Requirements for Allosteric Interactions from Those for Protein Binding. Phenylalanine Inhibition of Pyruvate Kinase. Biochemistry, 45, 2006
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5LTS
| Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease Mutant D118A | Descriptor: | CHLORIDE ION, GLYCEROL, RNA-directed RNA polymerase L, ... | Authors: | Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F. | Deposit date: | 2016-09-07 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal structures ofLymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands. IUCrJ, 5, 2018
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5OB7
| X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole (crystal 2) | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Pontillo, N, Ferraro, G, Merlino, A. | Deposit date: | 2017-06-26 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography. Dalton Trans, 46, 2017
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1PH0
| Non-carboxylic Acid-Containing Inhibitor of PTP1B Targeting the Second Phosphotyrosine Site | Descriptor: | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZ OIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Liu, G, Xin, Z, Liang, H, Abad-Zapatero, C, Hajduk, P, Janowick, D, Szczepankiewicz, B, Pei, Z, Hutchins, C.W, Ballaron, S.J. | Deposit date: | 2003-05-29 | Release date: | 2003-07-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands. J.Med.Chem., 46, 2003
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4QBY
| yCP in complex with BOC-ALA-ALA-ALA-CHO | Descriptor: | BOC-ALA-ALA-ALA-CHO, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Arciniega, M, Beck, P, Lange, O, Groll, M, Huber, R. | Deposit date: | 2014-05-09 | Release date: | 2014-06-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Differential global structural changes in the core particle of yeast and mouse proteasome induced by ligand binding. Proc.Natl.Acad.Sci.USA, 111, 2014
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4AVD
| C.lacteus nerve Hb in complex with CO | Descriptor: | ACETATE ION, CARBON MONOXIDE, GLYCEROL, ... | Authors: | Germani, F, Pesce, A, Venturini, A, Moens, L, Bolognesi, M, Dewilde, S, Nardini, M. | Deposit date: | 2012-05-25 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High Resolution Crystal Structures of the Cerebratulus Lacteus Mini-Hb in the Unligated and Carbomonoxy States. Int.J.Mol.Sci., 13, 2012
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2H4N
| H94N CARBONIC ANHYDRASE II COMPLEXED WITH ACETAZOLAMIDE | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, ZINC ION | Authors: | Lesburg, C.A, Christianson, D.W. | Deposit date: | 1997-05-29 | Release date: | 1997-09-17 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity. Biochemistry, 36, 1997
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7LOT
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4H84
| Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based inhibitor. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Stura, E.A, Antoni, C, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | Deposit date: | 2012-09-21 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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5OB6
| X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Pontillo, N, Ferraro, G, Merlino, A. | Deposit date: | 2017-06-26 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography. Dalton Trans, 46, 2017
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4AVE
| C.lacteus nerve Hb in the deoxy form | Descriptor: | ACETATE ION, GLYCEROL, NEURAL HEMOGLOBIN, ... | Authors: | Germani, F, Pesce, A, Venturini, A, Moens, L, Bolognesi, M, Dewilde, S, Nardini, M. | Deposit date: | 2012-05-25 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High Resolution Crystal Structures of the Cerebratulus Lacteus Mini-Hb in the Unligated and Carbomonoxy States. Int.J.Mol.Sci., 13, 2012
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2NN8
| Crystal structure of human galectin-3 carbohydrate-recognition domain with lactose bound, at 1.35 angstrom resolution | Descriptor: | CHLORIDE ION, GLYCEROL, Galectin-3, ... | Authors: | Blanchard, H, Collins, P.M. | Deposit date: | 2006-10-24 | Release date: | 2007-03-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Slow diffusion of lactose out of galectin-3 crystals monitored by X-ray crystallography: possible implications for ligand-exchange protocols. Acta Crystallogr.,Sect.D, 63, 2007
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6MVN
| LasR LBD L130F:3OC10HSL complex | Descriptor: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide, Transcriptional regulator LasR | Authors: | Bassler, B.L, Paczkowski, J.E. | Deposit date: | 2018-10-26 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural determinants driving homoserine lactone ligand selection in thePseudomonas aeruginosaLasR quorum-sensing receptor. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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