5LVL
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![BU of 5lvl by Molmil](/molmil-images/mine/5lvl) | Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 3-phosphoinositide-dependent protein kinase 1, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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3NEW
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![BU of 3new by Molmil](/molmil-images/mine/3new) | p38-alpha complexed with Compound 10 | Descriptor: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | Authors: | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | Deposit date: | 2010-06-09 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases. Acs Chem.Biol., 6, 2011
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2ZB1
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![BU of 2zb1 by Molmil](/molmil-images/mine/2zb1) | Crystal structure of P38 in complex with biphenyl amide inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | Authors: | Somers, D.O. | Deposit date: | 2007-10-13 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
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8A8N
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![BU of 8a8n by Molmil](/molmil-images/mine/8a8n) | |
5M3J
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![BU of 5m3j by Molmil](/molmil-images/mine/5m3j) | Influenza B polymerase bound to four heptad repeats of serine 5 phosphorylated Pol II CTD | Descriptor: | DNA-directed RNA polymerase subunit, Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Lukarska, M, Pflug, A, Cusack, S. | Deposit date: | 2016-10-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis of an essential interaction between influenza polymerase and Pol II CTD. Nature, 541, 2017
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5M48
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2ZVM
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![BU of 2zvm by Molmil](/molmil-images/mine/2zvm) | Crystal structure of PCNA in complex with DNA polymerase iota fragment | Descriptor: | DNA polymerase iota, Proliferating cell nuclear antigen | Authors: | Hishiki, A, Hashimoto, H, Hanafusa, T, Kamei, K, Ohashi, E, Shimizu, T, Ohmori, H, Sato, M. | Deposit date: | 2008-11-11 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for Novel Interactions between Human Translesion Synthesis Polymerases and Proliferating Cell Nuclear Antigen J.Biol.Chem., 284, 2009
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1KKD
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![BU of 1kkd by Molmil](/molmil-images/mine/1kkd) | Solution structure of the calmodulin binding domain (CaMBD) of small conductance Ca2+-activated potassium channels (SK2) | Descriptor: | Small conductance calcium-activated potassium channel protein 2 | Authors: | Wissmann, R, Bildl, W, Neumann, H, Rivard, A.F, Kloecker, N, Weitz, D, Schulte, U, Adelman, J.P, Bentrop, D, Fakler, B. | Deposit date: | 2001-12-07 | Release date: | 2001-12-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A helical region in the C terminus of small-conductance Ca2+-activated K+ channels controls assembly with apo-calmodulin. J.Biol.Chem., 277, 2002
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2ZVW
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![BU of 2zvw by Molmil](/molmil-images/mine/2zvw) | Crystal structure of Proliferating cell nuclear antigen 2 and Short peptide from human P21 | Descriptor: | Cyclin-dependent kinase inhibitor 1, Proliferating cell nuclear antigen 2, SULFATE ION | Authors: | Strzalka, W, Oyama, T, Tori, K, Morikawa, K. | Deposit date: | 2008-11-21 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the Arabidopsis thaliana proliferating cell nuclear antigen 1 and 2 proteins complexed with the human p21 C-terminal segment Protein Sci., 18, 2009
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5IUZ
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![BU of 5iuz by Molmil](/molmil-images/mine/5iuz) | STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jang, H.-H, Halpert, J.R, Shah, M.B. | Deposit date: | 2016-03-18 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
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3QUE
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![BU of 3que by Molmil](/molmil-images/mine/3que) | Human p38 MAP Kinase in Complex with Skepinone-L | Descriptor: | 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D. | Deposit date: | 2011-02-23 | Release date: | 2012-01-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor. Nat.Chem.Biol., 8, 2012
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2ZAZ
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![BU of 2zaz by Molmil](/molmil-images/mine/2zaz) | Crystal structure of P38 in complex with 4-anilino quinoline inhibitor | Descriptor: | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde, ACETATE ION, GLYCEROL, ... | Authors: | Somers, D.O. | Deposit date: | 2007-10-12 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
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1UJJ
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![BU of 1ujj by Molmil](/molmil-images/mine/1ujj) | VHS domain of human GGA1 complexed with C-terminal peptide from BACE | Descriptor: | ADP-ribosylation factor binding protein GGA1, C-terminal peptide from Beta-secretase | Authors: | Shiba, T, Kametaka, S, Kawasaki, M, Shibata, M, Waguri, S, Uchiyama, Y, Wakatsuki, S. | Deposit date: | 2003-08-05 | Release date: | 2004-05-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights into the Phosphoregulation of beta-Secretase Sorting Signal by the VHS Domain of GGA1 TRAFFIC, 5, 2004
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1UJK
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![BU of 1ujk by Molmil](/molmil-images/mine/1ujk) | VHS domain of human GGA1 complexed with C-terminal phosphopeptide from BACE | Descriptor: | ADP-ribosylation factor binding protein GGA1, C-terminal peptide from Beta-secretase, IODIDE ION | Authors: | Shiba, T, Kametaka, S, Kawasaki, M, Shibata, M, Waguri, S, Uchiyama, Y, Wakatsuki, S. | Deposit date: | 2003-08-05 | Release date: | 2004-05-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the Phosphoregulation of beta-Secretase Sorting Signal by the VHS Domain of GGA1 TRAFFIC, 5, 2004
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7ZSB
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2ZVV
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![BU of 2zvv by Molmil](/molmil-images/mine/2zvv) | Crystal structure of Proliferating cellular nuclear antigen 1 and Short peptide from human P21 | Descriptor: | Cyclin-dependent kinase inhibitor 1, Proliferating cellular nuclear antigen 1, SULFATE ION | Authors: | Strzalka, W, Oyama, T, Tori, K, Morikawa, K. | Deposit date: | 2008-11-21 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the Arabidopsis thaliana proliferating cell nuclear antigen 1 and 2 proteins complexed with the human p21 C-terminal segment Protein Sci., 18, 2009
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5E58
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![BU of 5e58 by Molmil](/molmil-images/mine/5e58) | Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | Deposit date: | 2015-10-08 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism. Mol.Pharmacol., 89, 2016
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1UJZ
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![BU of 1ujz by Molmil](/molmil-images/mine/1ujz) | Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein | Descriptor: | Designed Colicin E7 DNase, Designed Colicin E7 immunity protein | Authors: | Kortemme, T, Joachimiak, L.A, Bullock, A.N, Schuler, A.D, Stoddard, B.L, Baker, D. | Deposit date: | 2003-08-13 | Release date: | 2004-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computational redesign of protein-protein interaction specificity NAT.STRUCT.MOL.BIOL., 11, 2004
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7ZC5
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![BU of 7zc5 by Molmil](/molmil-images/mine/7zc5) | Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Resting state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2022-03-25 | Release date: | 2022-09-21 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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1V61
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![BU of 1v61 by Molmil](/molmil-images/mine/1v61) | Solution Structure of the Pleckstrin Homology Domain of alpha-Pix | Descriptor: | Rac/Cdc42 guanine nucleotide exchange factor (GEF) 6 | Authors: | Nakanishi, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-11-26 | Release date: | 2004-05-26 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Pleckstrin Homology Domain of alpha-Pix To be Published
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7Z84
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![BU of 7z84 by Molmil](/molmil-images/mine/7z84) | Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Open-ready state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2022-03-16 | Release date: | 2022-09-21 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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7Z7S
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![BU of 7z7s by Molmil](/molmil-images/mine/7z7s) | Complex I from E. coli, LMNG-purified, under Turnover at pH 6, Closed state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2022-03-16 | Release date: | 2022-09-21 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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7Z80
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![BU of 7z80 by Molmil](/molmil-images/mine/7z80) | Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Closed state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2022-03-16 | Release date: | 2022-09-21 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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5JL6
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3SY2
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![BU of 3sy2 by Molmil](/molmil-images/mine/3sy2) | |