6YZ2
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![BU of 6yz2 by Molmil](/molmil-images/mine/6yz2) | Full length Open-form Sodium Channel NavMs F208L | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A. | Deposit date: | 2020-05-06 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cannabidiol interactions with voltage-gated sodium channels. Elife, 9, 2020
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2XMT
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![BU of 2xmt by Molmil](/molmil-images/mine/2xmt) | Copper chaperone Atx1 from Synechocystis PCC6803 (Cu1 form) | Descriptor: | COPPER (I) ION, SSR2857 PROTEIN | Authors: | Badarau, A, Firbank, S.J, McCarthy, A.A, Banfield, M.J, Dennison, C. | Deposit date: | 2010-07-29 | Release date: | 2010-08-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Visualizing the Metal-Binding Versatility of Copper Trafficking Sites . Biochemistry, 49, 2010
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6Z08
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![BU of 6z08 by Molmil](/molmil-images/mine/6z08) | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-Nitrophenol | Descriptor: | P-NITROPHENOL, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2020-05-08 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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2XC9
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![BU of 2xc9 by Molmil](/molmil-images/mine/2xc9) | BINARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE AND 1, N2-ETHENOGUANINE MODIFIED DNA, MAGNESIUM FORM | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*G)-3', 5'-D(*TP*CP*AP*CP*GNEP*GP*AP*AP*TP*CP*CP*TP*TP* CP*CP*CP*CP*C)-3', DNA POLYMERASE IV | Authors: | Irimia, A, Loukachevitch, L.V, Egli, M. | Deposit date: | 2010-04-20 | Release date: | 2010-09-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Metal Ion Dependence of the Active Site Conformation of the Trans-Lesion DNA Polymerase Dpo4 from Sulfolobus Solfataricus Acta Crystallogr.,Sect.F, 66, 2010
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2XBS
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![BU of 2xbs by Molmil](/molmil-images/mine/2xbs) | Raman crystallography of Hen White Egg Lysozyme - High X-ray dose (16 MGy) | Descriptor: | CHLORIDE ION, LYSOZYME C | Authors: | Carpentier, P, Royant, A, Weik, M, Bourgeois, D. | Deposit date: | 2010-04-14 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation Structure, 18, 2010
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2XD1
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![BU of 2xd1 by Molmil](/molmil-images/mine/2xd1) | ACTIVE SITE RESTRUCTURING REGULATES LIGAND RECOGNITION IN CLASS A PENICILLIN-BINDING PROTEINS | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Macheboeuf, P, Di Guilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A. | Deposit date: | 2010-04-28 | Release date: | 2010-05-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins. Proc.Natl.Acad.Sci.USA, 102, 2005
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2XFL
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![BU of 2xfl by Molmil](/molmil-images/mine/2xfl) | Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase | Descriptor: | DYNE7 | Authors: | Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Sun, H, Bricogne, G, Liang, Z, Lescar, J. | Deposit date: | 2010-05-26 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis. J.Mol.Biol., 404, 2010
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6ZFK
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![BU of 6zfk by Molmil](/molmil-images/mine/6zfk) | |
2XHF
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6YTE
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![BU of 6yte by Molmil](/molmil-images/mine/6yte) | CLK1 bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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2XM9
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![BU of 2xm9 by Molmil](/molmil-images/mine/2xm9) | Structure of a small molecule inhibitor with the kinase domain of Chk2 | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | Deposit date: | 2010-07-26 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2. J.Med.Chem., 54, 2011
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6Z1P
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2XNC
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![BU of 2xnc by Molmil](/molmil-images/mine/2xnc) | Crystal structure of an engineered Ferredoxin NADP reductase (FNR) from Pisum sativum | Descriptor: | FERREDOXIN--NADP REDUCTASE, LEAF ISOZYME, CHLOROPLASTIC, ... | Authors: | Botti, H, Musumeci, M.A, Ceccarelli, E.A, Buschiazzo, A. | Deposit date: | 2010-08-02 | Release date: | 2011-02-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Swapping Fad Binding Motifs between Plastidic and Bacterial Ferredoxin-Nadp(H) Reductases. Biochemistry, 50, 2011
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6YU2
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![BU of 6yu2 by Molmil](/molmil-images/mine/6yu2) | Crystal structure of MhsT in complex with L-isoleucine | Descriptor: | ISOLEUCINE, SODIUM ION, Sodium-dependent transporter, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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2XP7
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![BU of 2xp7 by Molmil](/molmil-images/mine/2xp7) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | Descriptor: | 2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | Deposit date: | 2010-08-25 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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6ZL4
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![BU of 6zl4 by Molmil](/molmil-images/mine/6zl4) | the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (cis) | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | Deposit date: | 2020-06-30 | Release date: | 2021-01-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue. J.Am.Chem.Soc., 143, 2021
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2XLT
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![BU of 2xlt by Molmil](/molmil-images/mine/2xlt) | Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: complex with 3-Acetylpyridine adenine dinucleotide phosphate (APADP) | Descriptor: | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Orru, R, Fraaije, M.W, Mattevi, A. | Deposit date: | 2010-07-21 | Release date: | 2010-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Joint functions of protein residues and NADP(H) in oxygen activation by flavin-containing monooxygenase. J. Biol. Chem., 285, 2010
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6YTW
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![BU of 6ytw by Molmil](/molmil-images/mine/6ytw) | CLK3 bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6YTY
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![BU of 6yty by Molmil](/molmil-images/mine/6yty) | CLK3 A319V mutant bound with benzothiazole Tg003 (Cpd 2) | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-24 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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2Y03
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![BU of 2y03 by Molmil](/molmil-images/mine/2y03) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND AGONIST ISOPRENALINE | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, HEGA-10, ... | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | Deposit date: | 2010-11-30 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011
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6YU3
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![BU of 6yu3 by Molmil](/molmil-images/mine/6yu3) | Crystal structure of MhsT in complex with L-phenylalanine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLYCEROL, PHENYLALANINE, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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6Z8M
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![BU of 6z8m by Molmil](/molmil-images/mine/6z8m) | Structure of [NiFeSe] hydrogenase G491S variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491S-O2 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-02 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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2XE0
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![BU of 2xe0 by Molmil](/molmil-images/mine/2xe0) | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus | Descriptor: | 24MER DNA, ACETATE ION, I-CREI V2V3 VARIANT, ... | Authors: | Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Redondo, P, Villate, M, Merino, N, Marenchino, M, D'Abramo, M, Gervasio, F.L, Grizot, S, Daboussi, F, Smith, J, Chion-Sotine, I, Paques, F, Duchateau, P, Alibes, A, Stricher, F, Serrano, L, Blanco, F.J, Montoya, G. | Deposit date: | 2010-05-10 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Molecular Basis of Engineered Meganuclease Targeting of the Endogenous Human Rag1 Locus Nucleic Acids Res., 39, 2011
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2XEM
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![BU of 2xem by Molmil](/molmil-images/mine/2xem) | Induced-fit and allosteric effects upon polyene binding revealed by crystal structures of the Dynemicin thioesterase | Descriptor: | (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one, DYNE7 | Authors: | Liew, C.W, Sharff, A, Kotaka, M, Kong, R, Bricogne, G, Liang, Z.X, Lescar, J. | Deposit date: | 2010-05-17 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis. J.Mol.Biol., 404, 2010
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2XKI
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![BU of 2xki by Molmil](/molmil-images/mine/2xki) | Aquo-met structure of C.lacteus mini-Hb | Descriptor: | GLYCEROL, NEURAL HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Pesce, A, Nardini, M, Dewilde, S, Capece, L, Marti, M.A, Congia, S, Salter, M.D, Blouin, G.C, Estrin, D.A, Ascenzi, P, Moens, L, Bolognesi, M, Olson, J.S. | Deposit date: | 2010-07-08 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Ligand Migration in the Apolar Tunnel of Cerebratulus Lacteus Mini-Hemoglobin. J.Biol.Chem., 286, 2011
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