6YA9
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![BU of 6ya9 by Molmil](/molmil-images/mine/6ya9) | Crystal structure of rsGCaMP in the ON state (non-illuminated) | Descriptor: | CALCIUM ION, rsCGaMP | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | Deposit date: | 2020-03-11 | Release date: | 2021-10-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging. Nat.Biotechnol., 2021
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6Z10
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![BU of 6z10 by Molmil](/molmil-images/mine/6z10) | Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid, CHLORIDE ION, ... | Authors: | Haffke, M, Villard, F. | Deposit date: | 2020-05-11 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.269 Å) | Cite: | Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure. J.Med.Chem., 63, 2020
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7X1X
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![BU of 7x1x by Molmil](/molmil-images/mine/7x1x) | Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase in complex with NAD+ | Descriptor: | 4,5-dihydroxyphthalate dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Sharma, M, Mahto, J.K, Kumar, P. | Deposit date: | 2022-02-24 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase. Arch.Biochem.Biophys., 727, 2022
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7X2Y
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![BU of 7x2y by Molmil](/molmil-images/mine/7x2y) | Crystal Structure of cis-4,5-dihydrodiol phthalate dehydrogenase in complex with NAD+ and 3-Hydroxybenzoate | Descriptor: | 3-HYDROXYBENZOIC ACID, 4,5-dihydroxyphthalate dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sharma, M, Mahto, J.K, Kumar, P. | Deposit date: | 2022-02-26 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase. Arch.Biochem.Biophys., 727, 2022
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6H97
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![BU of 6h97 by Molmil](/molmil-images/mine/6h97) | AlbAT99V mutant , albicidin resistance protein | Descriptor: | Albicidin resistance protein | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2018-08-03 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA. J.Am.Chem.Soc., 140, 2018
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6ZCI
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![BU of 6zci by Molmil](/molmil-images/mine/6zci) | Crystal structure of BRD4-BD1 in complex with NVS-BET-1 | Descriptor: | (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4 | Authors: | Faller, M. | Deposit date: | 2020-06-11 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | BET bromodomain inhibitors regulate keratinocyte plasticity. Nat.Chem.Biol., 17, 2021
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7R0N
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![BU of 7r0n by Molmil](/molmil-images/mine/7r0n) | KRasG12C in complex with GDP and compound 2 | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N. | Deposit date: | 2022-02-02 | Release date: | 2022-04-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C. Cancer Discov, 12, 2022
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7R0Q
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![BU of 7r0q by Molmil](/molmil-images/mine/7r0q) | KRasG12C in complex with GDP and compound 3 | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N. | Deposit date: | 2022-02-02 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C. Cancer Discov, 12, 2022
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7R0M
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![BU of 7r0m by Molmil](/molmil-images/mine/7r0m) | KRasG12C in complex with GDP and JDQ443 | Descriptor: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ostermann, N. | Deposit date: | 2022-02-02 | Release date: | 2022-04-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.611 Å) | Cite: | Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C. Cancer Discov, 12, 2022
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6HM0
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![BU of 6hm0 by Molmil](/molmil-images/mine/6hm0) | Crystal structure of human BRD9 bromodomain in complex with a PROTAC | Descriptor: | (2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 9 | Authors: | Hughes, S.J, Zoppi, V, Ciulli, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Iterative Design and Optimization of Initially Inactive Proteolysis Targeting Chimeras (PROTACs) Identify VZ185 as a Potent, Fast, and Selective von Hippel-Lindau (VHL) Based Dual Degrader Probe of BRD9 and BRD7. J.Med.Chem., 62, 2019
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7WRM
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![BU of 7wrm by Molmil](/molmil-images/mine/7wrm) | |
6H4D
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![BU of 6h4d by Molmil](/molmil-images/mine/6h4d) | Crystal structure of RsgA from Pseudomonas aeruginosa | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ZINC ION | Authors: | Rocchio, S, Santorelli, D, Travaglini-Allocatelli, C, Federici, L, Di Matteo, A. | Deposit date: | 2018-07-20 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and functional investigation of the Small Ribosomal Subunit Biogenesis GTPase A (RsgA) from Pseudomonas aeruginosa. Febs J., 286, 2019
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6HD6
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![BU of 6hd6 by Molmil](/molmil-images/mine/6hd6) | ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571) | Descriptor: | 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | Authors: | Cowan-Jacob, S.W. | Deposit date: | 2018-08-17 | Release date: | 2018-09-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. J. Med. Chem., 61, 2018
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6IBB
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![BU of 6ibb by Molmil](/molmil-images/mine/6ibb) | Crystal structure of the rat isoform of the succinate receptor SUCNR1 (GPR91) in complex with a nanobody | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S},5~{R})-hexane-2,5-diol, CHOLESTEROL, ... | Authors: | Haffke, M, Jaakola, V.-P. | Deposit date: | 2018-11-29 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis of species-selective antagonist binding to the succinate receptor. Nature, 574, 2019
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7XRF
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![BU of 7xrf by Molmil](/molmil-images/mine/7xrf) | Crystal structaure of DgpB/C complex | Descriptor: | AP_endonuc_2 domain-containing protein, DgpB, MANGANESE (II) ION | Authors: | Ma, M, He, P. | Deposit date: | 2022-05-10 | Release date: | 2023-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase. Acta Pharm Sin B, 13, 2023
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7XRE
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![BU of 7xre by Molmil](/molmil-images/mine/7xre) | Crystal structure of DgpA | Descriptor: | DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Ma, W, He, P. | Deposit date: | 2022-05-10 | Release date: | 2023-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase. Acta Pharm Sin B, 13, 2023
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7XUY
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![BU of 7xuy by Molmil](/molmil-images/mine/7xuy) | |
7XR9
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![BU of 7xr9 by Molmil](/molmil-images/mine/7xr9) | Crystal structure of DgpA with glucose | Descriptor: | DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, beta-D-glucopyranose | Authors: | Ma, W, He, P. | Deposit date: | 2022-05-09 | Release date: | 2023-04-05 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase. Acta Pharm Sin B, 13, 2023
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6RNK
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![BU of 6rnk by Molmil](/molmil-images/mine/6rnk) | Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist NF-56-EJ40. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, GLYCEROL, ... | Authors: | Haffke, M, Jaakola, V.-P. | Deposit date: | 2019-05-08 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural basis of species-selective antagonist binding to the succinate receptor. Nature, 574, 2019
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6SFR
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![BU of 6sfr by Molmil](/molmil-images/mine/6sfr) | SOS1 in Complex with Inhibitor BI-68BS | Descriptor: | 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | Authors: | Kessler, D, Fischer, G, Ramharter, J. | Deposit date: | 2019-08-02 | Release date: | 2020-08-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition. Cancer Discov, 11, 2021
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6SCM
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![BU of 6scm by Molmil](/molmil-images/mine/6scm) | SOS1 in Complex with Inhibitor BI-3406 | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ... | Authors: | Kessler, D, Fischer, G, Ramharter, J. | Deposit date: | 2019-07-24 | Release date: | 2020-08-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition. Cancer Discov, 11, 2021
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6SMW
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![BU of 6smw by Molmil](/molmil-images/mine/6smw) | A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with pemetrexed | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | Deposit date: | 2019-08-23 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models. Sci Rep, 9, 2019
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6SMN
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![BU of 6smn by Molmil](/molmil-images/mine/6smn) | A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with methotrexate | Descriptor: | 1,2-ETHANEDIOL, METHOTREXATE, SERINE, ... | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | Deposit date: | 2019-08-22 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models. Sci Rep, 9, 2019
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6SMR
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![BU of 6smr by Molmil](/molmil-images/mine/6smr) | A. thaliana serine hydroxymethyltransferase isoform 4 (AtSHMT4) in complex with methotrexate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, METHOTREXATE, ... | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | Deposit date: | 2019-08-22 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models. Sci Rep, 9, 2019
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7SQ0
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![BU of 7sq0 by Molmil](/molmil-images/mine/7sq0) | Get3 bound to ADP and the transmembrane domain of the tail-anchored protein Bos1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase ASNA1 homolog, MAGNESIUM ION, ... | Authors: | Fry, M.Y, Maggiolo, A.O, Clemons Jr, W.M. | Deposit date: | 2021-11-04 | Release date: | 2022-07-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structurally derived universal mechanism for the catalytic cycle of the tail-anchored targeting factor Get3. Nat.Struct.Mol.Biol., 29, 2022
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