6RJQ
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![BU of 6rjq by Molmil](/molmil-images/mine/6rjq) | Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, TAZpS89 | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C, Patel, J. | Deposit date: | 2019-04-29 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.885 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RST
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![BU of 6rst by Molmil](/molmil-images/mine/6rst) | TBK1 in complex with inhibitor compound 24 | Descriptor: | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6RSU
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![BU of 6rsu by Molmil](/molmil-images/mine/6rsu) | TBK1 in complex with Inhibitor compound 35 | Descriptor: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6RHC
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![BU of 6rhc by Molmil](/molmil-images/mine/6rhc) | Fragment AZ-003 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | Deposit date: | 2019-04-19 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RVD
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![BU of 6rvd by Molmil](/molmil-images/mine/6rvd) | Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | Deposit date: | 2019-05-31 | Release date: | 2019-10-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat.Chem.Biol., 15, 2019
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6S9T
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![BU of 6s9t by Molmil](/molmil-images/mine/6s9t) | Dimerization domain of Xenopus laevis LDB1 in complex with darpin 3 | Descriptor: | Darpin 3, LIM domain-binding protein 1, TETRAETHYLENE GLYCOL | Authors: | Renko, M, Schaefer, J.V, Pluckthun, A, Bienz, M. | Deposit date: | 2019-07-15 | Release date: | 2019-10-09 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome. Proc.Natl.Acad.Sci.USA, 116, 2019
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1ZME
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![BU of 1zme by Molmil](/molmil-images/mine/1zme) | CRYSTAL STRUCTURE OF PUT3/DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*AP*GP*(5IU)P*TP*GP*GP*CP*TP*(5IU)P*CP*CP*CP*G)-3'), DNA (5'-D(*AP*CP*GP*GP*GP*AP*AP*GP*CP*CP*AP*AP*CP*TP*CP*CP*G)-3'), PROLINE UTILIZATION TRANSCRIPTION ACTIVATOR, ... | Authors: | Swaminathan, K, Marmorstein, R. | Deposit date: | 1997-08-06 | Release date: | 1998-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a PUT3-DNA complex reveals a novel mechanism for DNA recognition by a protein containing a Zn2Cys6 binuclear cluster. Nat.Struct.Biol., 4, 1997
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2WH0
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![BU of 2wh0 by Molmil](/molmil-images/mine/2wh0) | Recognition of an intrachain tandem 14-3-3 binding site within protein kinase C epsilon | Descriptor: | 14-3-3 PROTEIN ZETA/DELTA, CALCIUM ION, PROTEIN KINASE C EPSILON TYPE, ... | Authors: | Kostelecky, B, Saurin, A.T, Purkiss, A, Parker, P.J, McDonald, N.Q. | Deposit date: | 2009-04-28 | Release date: | 2009-08-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Recognition of an Intra-Chain Tandem 14-3-3 Binding Site within Pkc Epsilon. Embo Rep., 10, 2009
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3F07
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![BU of 3f07 by Molmil](/molmil-images/mine/3f07) | Crystal Structure Analysis of Human HDAC8 complexed with APHA in a new monoclinic crystal form | Descriptor: | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide, Histone deacetylase 8, POTASSIUM ION, ... | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | Deposit date: | 2008-10-24 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors. Biochemistry, 47, 2008
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3KCE
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![BU of 3kce by Molmil](/molmil-images/mine/3kce) | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | Descriptor: | 5-methyl-1H-indole-2-carboxylic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | Deposit date: | 2009-10-21 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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1HRP
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![BU of 1hrp by Molmil](/molmil-images/mine/1hrp) | CRYSTAL STRUCTURE OF HUMAN CHORIONIC GONADOTROPIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HUMAN CHORIONIC GONADOTROPIN | Authors: | Lapthorn, A.J, Harris, D.C, Isaacs, N.W. | Deposit date: | 1994-08-15 | Release date: | 1994-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human chorionic gonadotropin. Nature, 369, 1994
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7F4H
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![BU of 7f4h by Molmil](/molmil-images/mine/7f4h) | Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein, Nb35 and scFv16 | Descriptor: | Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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7F4I
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![BU of 7f4i by Molmil](/molmil-images/mine/7f4i) | Cryo-EM structure of SHU9119-bound melanocortin-1 receptor in complex with Gs protein and Nb35 | Descriptor: | CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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7F4D
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![BU of 7f4d by Molmil](/molmil-images/mine/7f4d) | Cryo-EM structure of alpha-MSH-bound melanocortin-1 receptor in complex with Gs protein and Nb35 | Descriptor: | CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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7F4F
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![BU of 7f4f by Molmil](/molmil-images/mine/7f4f) | Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein and scFv16 | Descriptor: | Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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1I09
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![BU of 1i09 by Molmil](/molmil-images/mine/1i09) | |
1CKS
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![BU of 1cks by Molmil](/molmil-images/mine/1cks) | |
7EXE
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![BU of 7exe by Molmil](/molmil-images/mine/7exe) | |
3F0R
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![BU of 3f0r by Molmil](/molmil-images/mine/3f0r) | Crystal Structure Analysis of Human HDAC8 complexed with trichostatin A in a new monoclinic crystal form | Descriptor: | Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ... | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | Deposit date: | 2008-10-25 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors. Biochemistry, 47, 2008
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1J1B
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![BU of 1j1b by Molmil](/molmil-images/mine/1j1b) | Binary complex structure of human tau protein kinase I with AMPPNP | Descriptor: | Glycogen synthase kinase-3 beta, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T. | Deposit date: | 2002-12-03 | Release date: | 2003-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta. Acta Crystallogr.,Sect.D, 60, 2004
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7F0M
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![BU of 7f0m by Molmil](/molmil-images/mine/7f0m) | Crystal Structure of human Pin1 complexed with a potent covalent inhibitor | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Liu, L, Li, J. | Deposit date: | 2021-06-05 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1). J.Med.Chem., 65, 2022
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1IX4
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![BU of 1ix4 by Molmil](/molmil-images/mine/1ix4) | Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Carbon Monoxide | Descriptor: | CARBON MONOXIDE, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K. | Deposit date: | 2002-06-10 | Release date: | 2003-09-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1. Biochemistry, 42, 2003
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1IX3
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![BU of 1ix3 by Molmil](/molmil-images/mine/1ix3) | Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Cyanide | Descriptor: | CYANIDE ION, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K. | Deposit date: | 2002-06-10 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1. Biochemistry, 42, 2003
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1J02
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![BU of 1j02 by Molmil](/molmil-images/mine/1j02) | Crystal Structure of Rat Heme Oxygenase-1-Heme Bound to NO | Descriptor: | HEME OXYGENASE 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Fukuyama, K. | Deposit date: | 2002-10-28 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1. Biochemistry, 42, 2003
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1E9H
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![BU of 1e9h by Molmil](/molmil-images/mine/1e9h) | Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound | Descriptor: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A3 | Authors: | Davies, T.G, Tunnah, P, Noble, M.E.M, Endicott, J.A. | Deposit date: | 2000-10-16 | Release date: | 2001-10-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibitor Binding to Active and Inactive Cdk2: The Crystal Structure of Cdk2-Cyclin A/Indirubin-5-Sulphonate Structure, 9, 2001
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