7ORW
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![BU of 7orw by Molmil](/molmil-images/mine/7orw) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | Descriptor: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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7OQP
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![BU of 7oqp by Molmil](/molmil-images/mine/7oqp) | Crystal structure of the human METTL3-METTL14 complex with compound UOZ113 | Descriptor: | ACETATE ION, N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-06-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7ORU
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![BU of 7oru by Molmil](/molmil-images/mine/7oru) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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4QSD
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![BU of 4qsd by Molmil](/molmil-images/mine/4qsd) | Crystal structure of atu4361 sugar transporter from Agrobacterium Fabrum C58, target efi-510558, with bound sucrose | Descriptor: | ABC-TYPE SUGAR TRANSPORTER, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-07-03 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Crystal Structure of Maltoside Transporter Atu4361 from Agrobacterium Fabrum, Target Efi-510558 To be Published
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4QSY
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![BU of 4qsy by Molmil](/molmil-images/mine/4qsy) | SHP2 SH2 domain in complex with GAB1 peptide | Descriptor: | GRB2-associated-binding protein 1, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Gogl, G, Remenyi, A. | Deposit date: | 2014-07-06 | Release date: | 2015-07-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective targeting of GAB adapter protein SHP2 tyrosine phosphatase interaction attenuates ERK signaling To be Published
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4QTG
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![BU of 4qtg by Molmil](/molmil-images/mine/4qtg) | CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE | Descriptor: | 5-CARBOXYVANILLATE DECARBOXYLASE, GLYCEROL, MANGANESE (II) ION | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-07-07 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 from Novosphingobium Aromaticivorans To be Published
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5JQW
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![BU of 5jqw by Molmil](/molmil-images/mine/5jqw) | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, N5-carboxyaminoimidazole ribonucleotide synthase | Authors: | Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-05-05 | Release date: | 2016-05-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP To Be Published
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4RAM
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![BU of 4ram by Molmil](/molmil-images/mine/4ram) | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Penicillin G | Descriptor: | Beta-lactamase NDM-1, CHLORIDE ION, OPEN FORM - PENICILLIN G, ... | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2014-09-10 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.495 Å) | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Penicillin G To be Published
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3RK5
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![BU of 3rk5 by Molmil](/molmil-images/mine/3rk5) | CDK2 in complex with inhibitor RC-2-72 | Descriptor: | 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-17 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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7OQO
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![BU of 7oqo by Molmil](/molmil-images/mine/7oqo) | Crystal structure of the human METTL3-METTL14 complex with compound UOZ111 | Descriptor: | 2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-06-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7OQL
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![BU of 7oql by Molmil](/molmil-images/mine/7oql) | Crystal structure of the human METTL3-METTL14 complex with compound UOZ094 | Descriptor: | (3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-06-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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4RD4
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![BU of 4rd4 by Molmil](/molmil-images/mine/4rd4) | Structure of aIF2 gamma from sulfolobus solfataricus bound to gdpnp | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | Deposit date: | 2014-09-18 | Release date: | 2015-05-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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7P8E
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![BU of 7p8e by Molmil](/molmil-images/mine/7p8e) | Crystal structure of the Receiver domain of M. truncatula cytokinin receptor MtCRE1 | Descriptor: | CALCIUM ION, Receiver domain of histidine kinase | Authors: | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula . Front Plant Sci, 12, 2021
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4RFB
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![BU of 4rfb by Molmil](/molmil-images/mine/4rfb) | 1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E.V, Halavaty, A, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-09-25 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X. TO BE PUBLISHED
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3RPR
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![BU of 3rpr by Molmil](/molmil-images/mine/3rpr) | CDK2 in complex with inhibitor RC-2-49 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-27 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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1AXL
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![BU of 1axl by Molmil](/molmil-images/mine/1axl) | SOLUTION CONFORMATION OF THE (-)-TRANS-ANTI-[BP]DG ADDUCT OPPOSITE A DELETION SITE IN DNA DUPLEX D(CCATC-[BP]G-CTACC)D(GGTAG--GATGG), NMR, 6 STRUCTURES | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CCATC-[BP]G-CTACC)D(GGTAG--GATGG) | Authors: | Feng, B, Gorin, A.A, Kolbanovskiy, A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | Deposit date: | 1997-10-16 | Release date: | 1998-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution conformation of the (-)-trans-anti-[BP]dG adduct opposite a deletion site in a DNA duplex: intercalation of the covalently attached benzo[a]pyrene into the helix with base displacement of the modified deoxyguanosine into the minor groove. Biochemistry, 36, 1997
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3RPY
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![BU of 3rpy by Molmil](/molmil-images/mine/3rpy) | CDK2 in complex with inhibitor RC-2-40 | Descriptor: | 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-27 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3RQ4
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![BU of 3rq4 by Molmil](/molmil-images/mine/3rq4) | Crystal structure of suppressor of variegation 4-20 homolog 2 | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SUV420H2, S-ADENOSYLMETHIONINE, ... | Authors: | Dong, A, Zeng, H, Tempel, W, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-04-27 | Release date: | 2011-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2. Febs Lett., 587, 2013
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7P76
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![BU of 7p76 by Molmil](/molmil-images/mine/7p76) | Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions, Schiff base complex with cinnamaldehyde | Descriptor: | (2E)-3-phenylprop-2-enal, Deoxyribose-phosphate aldolase, GLYCEROL | Authors: | Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J. | Deposit date: | 2021-07-19 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution. Acs Catalysis, 11, 2021
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5K28
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![BU of 5k28 by Molmil](/molmil-images/mine/5k28) | Structure of the unbound SH3 domain of MLK3 | Descriptor: | Mitogen-activated protein kinase kinase kinase 11 | Authors: | Kall, S.K, Lavie, A. | Deposit date: | 2016-05-18 | Release date: | 2017-12-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of two distinct peptide-binding pockets in the SH3 domain of human mixed-lineage kinase 3. J. Biol. Chem., 293, 2018
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4QQW
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![BU of 4qqw by Molmil](/molmil-images/mine/4qqw) | Crystal structure of T. fusca Cas3 | Descriptor: | CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | Authors: | Ke, A, Huo, Y, Nam, K.H. | Deposit date: | 2014-06-30 | Release date: | 2014-08-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.664 Å) | Cite: | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
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7ORV
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![BU of 7orv by Molmil](/molmil-images/mine/7orv) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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7ORR
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![BU of 7orr by Molmil](/molmil-images/mine/7orr) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022 | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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3BHV
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![BU of 3bhv by Molmil](/molmil-images/mine/3bhv) | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B | Descriptor: | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, Cell division protein kinase 2, Cyclin-A2, ... | Authors: | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | Deposit date: | 2007-11-29 | Release date: | 2008-02-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases Cancer Res., 67, 2007
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3ZBF
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![BU of 3zbf by Molmil](/molmil-images/mine/3zbf) | Structure of Human ROS1 Kinase Domain in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2012-11-08 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1 N.Engl.J.Med., 368, 2013
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