5V9U
 
 | | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | | Deposit date: | 2017-03-23 | | Release date: | 2018-02-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
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5V9L
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5LGT
 | | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15 | | Descriptor: | 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Mattevi, A, Ciossani, G. | | Deposit date: | 2016-07-08 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
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4TW7
 | | The Fk1 domain of FKBP51 in complex with iFit4 | | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
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1SE0
 | | Crystal structure of DIAP1 BIR1 bound to a Grim peptide | | Descriptor: | Apoptosis 1 inhibitor, Cell death protein Grim, ZINC ION | | Authors: | Yan, N, Wu, J.W, Shi, Y. | | Deposit date: | 2004-02-15 | | Release date: | 2004-04-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular mechanisms of DrICE inhibition by DIAP1 and removal of inhibition by Reaper, Hid and Grim.
Nat.Struct.Mol.Biol., 11, 2004
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1F66
 | | 2.6 A CRYSTAL STRUCTURE OF A NUCLEOSOME CORE PARTICLE CONTAINING THE VARIANT HISTONE H2A.Z | | Descriptor: | HISTONE H2A.Z, HISTONE H2B, HISTONE H3, ... | | Authors: | Suto, R.K, Clarkson, M.J, Tremethick, D.J, Luger, K. | | Deposit date: | 2000-06-20 | | Release date: | 2000-11-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of a nucleosome core particle containing the variant histone H2A.Z.
Nat.Struct.Biol., 7, 2000
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1SH6
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5VAY
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5UQV
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5LJ1
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one | | Descriptor: | 1,2-ETHANEDIOL, 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2016-07-17 | | Release date: | 2016-08-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Chemical Probe for the ATAD2 Bromodomain.
Angew.Chem.Int.Ed.Engl., 55, 2016
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1FFO
 | | CRYSTAL STRUCTURE OF MURINE CLASS I H-2DB COMPLEXED WITH SYNTHETIC PEPTIDE GP33 (C9M/K1A) | | Descriptor: | BETA-2 MICROGLOBULIN BETA CHAIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B, ... | | Authors: | Wang, B, Sharma, A, Maile, R, Saad, M, Collins, E.J, Frelinger, J.A. | | Deposit date: | 2000-07-25 | | Release date: | 2002-12-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Peptidic termini play a significant role in TCR recognition.
J.Immunol., 169, 2002
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5LKJ
 | | Crystal structure of mouse CARM1 in complex with ligand SA684 | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-07-22 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Crystal structure of mouse CARM1 in complex with ligands
To Be Published
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5UIH
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1S05
 | | NMR-validated structural model for oxidized R.palustris cytochrome c556 | | Descriptor: | Cytochrome c-556, HEME C | | Authors: | Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R. | | Deposit date: | 2003-12-30 | | Release date: | 2004-01-20 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556).
J.Biol.Inorg.Chem., 9, 2004
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1MI1
 | | Crystal Structure of the PH-BEACH Domain of Human Neurobeachin | | Descriptor: | Neurobeachin | | Authors: | Jogl, G, Shen, Y, Gebauer, D, Li, J, Wiegmann, K, Kashkar, H, Kroenke, M, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-08-21 | | Release date: | 2002-09-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the BEACH domain reveals an unusual fold and extensive association with a novel PH domain.
EMBO J., 21, 2002
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4U3Z
 | | APO MAP4K4 T181E Phosphomimetic Mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase kinase 4, SODIUM ION | | Authors: | Harris, S.F, Wu, P, Coons, M. | | Deposit date: | 2014-07-23 | | Release date: | 2016-01-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
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4U43
 | | MAP4K4 in complex with inhibitor (compound 6) | | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | | Authors: | Harris, S.F, Wu, P, Coons, M. | | Deposit date: | 2014-07-23 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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1FGB
 | | TOXIN | | Descriptor: | CHOLERA TOXIN B SUBUNIT PENTAMER | | Authors: | Zhang, R.-G, Westbrook, E. | | Deposit date: | 1996-02-21 | | Release date: | 1996-12-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The 2.4 A crystal structure of cholera toxin B subunit pentamer: choleragenoid.
J.Mol.Biol., 251, 1995
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1FJ2
 | | Crystal structure of the human acyl protein thioesterase 1 at 1.5 A resolution | | Descriptor: | BROMIDE ION, PROTEIN (ACYL PROTEIN THIOESTERASE 1) | | Authors: | Devedjiev, Y, Dauter, Z, Kuznetsov, S, Jones, T, Derewenda, Z. | | Deposit date: | 2000-08-07 | | Release date: | 2000-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the human acyl protein thioesterase I from a single X-ray data set to 1.5 A.
Structure Fold.Des., 8, 2000
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1FBV
 | | STRUCTURE OF A CBL-UBCH7 COMPLEX: RING DOMAIN FUNCTION IN UBIQUITIN-PROTEIN LIGASES | | Descriptor: | SIGNAL TRANSDUCTION PROTEIN CBL, SULFATE ION, UBIQUITIN-CONJUGATING ENZYME E12-18 KDA UBCH7, ... | | Authors: | Zheng, N, Wang, P, Jeffrey, P.D, Pavletich, N.P. | | Deposit date: | 2000-07-17 | | Release date: | 2000-08-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of a c-Cbl-UbcH7 complex: RING domain function in ubiquitin-protein ligases.
Cell(Cambridge,Mass.), 102, 2000
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1LVG
 | | Crystal structure of mouse guanylate kinase in complex with GMP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase, ... | | Authors: | Sekulic, N, Shuvalova, L, Spangenberg, O, Konrad, M, Lavie, A. | | Deposit date: | 2002-05-28 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural characterization of the closed
conformation of mouse guanylate kinase.
J.Biol.Chem., 277, 2002
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4U40
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4U42
 | | MAP4K4 T181E Mutant Bound to inhibitor compound 1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | | Authors: | Harris, S.F, Wu, P, Coons, M. | | Deposit date: | 2014-07-23 | | Release date: | 2016-01-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published
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4U46
 | | Crystal structure of an avidin mutant | | Descriptor: | Avidin, CHLORIDE ION | | Authors: | Agrawal, N, Lehtonen, S, Kahkonen, N, Riihimaki, T, Hytonen, V.P, Kulomaa, M.S, Johnson, M.S, Airenne, T.T. | | Deposit date: | 2014-07-23 | | Release date: | 2015-08-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Artificial Avidin-Based Receptors for a Panel of Small Molecules.
Acs Chem.Biol., 11, 2016
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1RUT
 | | Complex of LMO4 LIM domains 1 and 2 with the ldb1 LID domain | | Descriptor: | Fusion protein of Lmo4 protein and LIM domain-binding protein 1, ZINC ION | | Authors: | Deane, J.E, Ryan, D.P, Maher, M.J, Kwan, A.H.Y, Bacca, M, Mackay, J.P, Guss, J.M, Visvader, J.E, Matthews, J.M. | | Deposit date: | 2003-12-11 | | Release date: | 2004-10-12 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Tandem LIM domains provide synergistic binding in the LMO4:Ldb1 complex
Embo J., 23, 2004
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