6OAP
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![BU of 6oap by Molmil](/molmil-images/mine/6oap) | Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | Deposit date: | 2019-03-18 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OAQ
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![BU of 6oaq by Molmil](/molmil-images/mine/6oaq) | Crystal structure of a dual sensor histidine kinase in BeF3- bound state | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Dual sensor histidine kinase, MAGNESIUM ION, ... | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | Deposit date: | 2019-03-18 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OB8
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![BU of 6ob8 by Molmil](/molmil-images/mine/6ob8) | Crystal structure of a dual sensor histidine kinase in green light illuminated state | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | Deposit date: | 2019-03-19 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase. Proc.Natl.Acad.Sci.USA, 116, 2019
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7FH0
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![BU of 7fh0 by Molmil](/molmil-images/mine/7fh0) | |
4GMY
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![BU of 4gmy by Molmil](/molmil-images/mine/4gmy) | |
4GIH
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![BU of 4gih by Molmil](/molmil-images/mine/4gih) | |
4GFM
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![BU of 4gfm by Molmil](/molmil-images/mine/4gfm) | JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | Descriptor: | 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-08-03 | Release date: | 2013-06-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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3MYG
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![BU of 3myg by Molmil](/molmil-images/mine/3myg) | Aurora A Kinase complexed with SCH 1473759 | Descriptor: | 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL | Authors: | Hruza, A, Prosis, W, Ramanathan, L. | Deposit date: | 2010-05-10 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core. ACS Med Chem Lett, 1, 2010
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4GFO
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![BU of 4gfo by Molmil](/molmil-images/mine/4gfo) | TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | Descriptor: | 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-08-03 | Release date: | 2013-06-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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4I1L
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![BU of 4i1l by Molmil](/molmil-images/mine/4i1l) | Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function | Descriptor: | ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ... | Authors: | Song, X.M, Greene, M.I, Zhou, Z.C. | Deposit date: | 2012-11-21 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function. Cell Rep, 1, 2012
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6DJA
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![BU of 6dja by Molmil](/molmil-images/mine/6dja) | ZN-DEPENDENT 5/B/6 METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS | Descriptor: | Metallo-beta-lactamase type 2, ZINC ION | Authors: | Bui, A.A, Khan, N.H, Shaw, R.W, Sutton, R.B. | Deposit date: | 2018-05-24 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases. Plos One, 14, 2019
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5Z9R
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![BU of 5z9r by Molmil](/molmil-images/mine/5z9r) | |
8JAY
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![BU of 8jay by Molmil](/molmil-images/mine/8jay) | CrtSPARTA Octamer bound with guide-target | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-07 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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6OPG
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![BU of 6opg by Molmil](/molmil-images/mine/6opg) | phosphorylated ERK2 with AMP-PNP | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Vigers, G.P, Smith, D. | Deposit date: | 2019-04-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OPH
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![BU of 6oph by Molmil](/molmil-images/mine/6oph) | phosphorylated ERK2 with GDC-0994 | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | Authors: | Vigers, G.P, Smith, D. | Deposit date: | 2019-04-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OPI
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![BU of 6opi by Molmil](/molmil-images/mine/6opi) | phosphorylated ERK2 with SCH-CPD336 | Descriptor: | (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1 | Authors: | Vigers, G.P, Smith, D. | Deposit date: | 2019-04-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OQI
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![BU of 6oqi by Molmil](/molmil-images/mine/6oqi) | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | Authors: | Murray, J.M. | Deposit date: | 2019-04-26 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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6OQO
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![BU of 6oqo by Molmil](/molmil-images/mine/6oqo) | CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine | Descriptor: | Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Authors: | Murray, J.M, Boenig, G.D.L. | Deposit date: | 2019-04-26 | Release date: | 2020-07-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.977 Å) | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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6OPK
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![BU of 6opk by Molmil](/molmil-images/mine/6opk) | Phosphorylated ERK2 with Vertex-11e | Descriptor: | 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1 | Authors: | Vigers, G.P, Rudolph, J. | Deposit date: | 2019-04-25 | Release date: | 2019-07-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OQL
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![BU of 6oql by Molmil](/molmil-images/mine/6oql) | CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6 | Authors: | Murray, J.M. | Deposit date: | 2019-04-26 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.707 Å) | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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8HNC
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![BU of 8hnc by Molmil](/molmil-images/mine/8hnc) | Cryo-EM structure of human OATP1B1 in complex with bilirubin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ... | Authors: | Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-09-13 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
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8HNB
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![BU of 8hnb by Molmil](/molmil-images/mine/8hnb) | Cryo-EM structure of human OATP1B1 in apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1 | Authors: | Shan, Z, Yang, X, Zhang, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-09-13 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
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8HNH
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![BU of 8hnh by Molmil](/molmil-images/mine/8hnh) | Cryo-EM structure of human OATP1B1 in complex with simeprevir | Descriptor: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shan, Z, Yang, X, Zhang, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-09-13 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
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8HND
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![BU of 8hnd by Molmil](/molmil-images/mine/8hnd) | Cryo-EM structure of human OATP1B1 in complex with estrone-3-sulfate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1, ... | Authors: | Shan, Z, Yang, X, Liu, H, Nan, J, Yuan, Y, Zhang, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-09-13 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
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4LPI
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![BU of 4lpi by Molmil](/molmil-images/mine/4lpi) | |