4BKJ
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![BU of 4bkj by Molmil](/molmil-images/mine/4bkj) | Crystal structure of the human DDR1 kinase domain in complex with imatinib | Descriptor: | 1,2-ETHANEDIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-04-25 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors J.Mol.Biol., 426, 2014
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5UP3
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3ZEF
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![BU of 3zef by Molmil](/molmil-images/mine/3zef) | Crystal structure of Prp8:Aar2 complex: second crystal form at 3.1 Angstrom resolution | Descriptor: | A1 CISTRON-SPLICING FACTOR AAR2, PRE-MRNA-SPLICING FACTOR 8 | Authors: | Galej, W.P, Oubridge, C, Newman, A.J, Nagai, K. | Deposit date: | 2012-12-05 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of Prp8 Reveals Active Site Cavity of the Spliceosome Nature, 493, 2013
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3ZKA
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![BU of 3zka by Molmil](/molmil-images/mine/3zka) | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-BOUND, OPEN STATE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | Deposit date: | 2013-01-22 | Release date: | 2013-11-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease. Nat. Chem. Biol., 10, 2014
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3ZKW
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3ZJB
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![BU of 3zjb by Molmil](/molmil-images/mine/3zjb) | The structure of the TRAF domain of human TRAF4 | Descriptor: | CHLORIDE ION, TNF RECEPTOR-ASSOCIATED FACTOR 4 | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Rousseau, A, Rogna, D, Nomine, Y, Rio, M.-C, Tomasetto, C, Alpy, F. | Deposit date: | 2013-01-17 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Traf4 is a Novel Phosphoinositide-Binding Protein Modulating Tight Junctions and Favoring Cell Migration. Plos Biol., 11, 2013
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3ZO3
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![BU of 3zo3 by Molmil](/molmil-images/mine/3zo3) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | Descriptor: | 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
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4N0J
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![BU of 4n0j by Molmil](/molmil-images/mine/4n0j) | Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A resolution | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | McGovern, R.E, Crowley, P.B. | Deposit date: | 2013-10-02 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural study of a small molecule receptor bound to dimethyllysine in lysozyme. Chem Sci, 6, 2015
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3ZO2
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![BU of 3zo2 by Molmil](/molmil-images/mine/3zo2) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
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4OMM
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3ZNG
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![BU of 3zng by Molmil](/molmil-images/mine/3zng) | Ankyrin repeat and SOCS-box protein 9 (ASB9) in complex with ElonginB and ElonginC | Descriptor: | 1,2-ETHANEDIOL, ANKYRIN REPEAT AND SOCS BOX PROTEIN 9, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Thomas, J, Van Molle, I, Ciulli, A. | Deposit date: | 2013-02-14 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Multimeric Complexes Among Ankyrin-Repeat and Socs-Box Protein 9 (Asb9), Elonginbc, and Cullin 5: Insights Into the Structure and Assembly of Ecs-Type Cullin-Ring E3 Ubiquitin Ligases. Biochemistry, 52, 2013
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4P0J
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![BU of 4p0j by Molmil](/molmil-images/mine/4p0j) | Crystal Structure of Loop-Swapped Interleukin-36Ra | Descriptor: | Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein | Authors: | Guenther, S, Sundberg, E.J. | Deposit date: | 2014-02-21 | Release date: | 2014-06-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor. J Immunol., 193, 2014
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4BDJ
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![BU of 4bdj by Molmil](/molmil-images/mine/4bdj) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine, CHECKPOINT KINASE 2, NITRATE ION | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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4B99
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![BU of 4b99 by Molmil](/molmil-images/mine/4b99) | Crystal Structure of MAPK7 (ERK5) with inhibitor | Descriptor: | 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 7 | Authors: | Elkins, J.M, Wang, J, Vollmar, M, Mahajan, P, Savitsky, P, Deng, X, Gray, N.S, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2012-09-03 | Release date: | 2012-09-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-Ray Crystal Structure of Erk5 (Mapk7) in Complex with a Specific Inhibitor. J.Med.Chem., 56, 2013
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4BJ3
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![BU of 4bj3 by Molmil](/molmil-images/mine/4bj3) | Integrin alpha2 I domain E318W-collagen complex | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GFOGER PEPTIDE, ... | Authors: | Carafoli, F, Hamaia, S.W, Bihan, D, Hohenester, E, Farndale, R.W. | Deposit date: | 2013-04-16 | Release date: | 2013-11-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.042 Å) | Cite: | An Activating Mutation Reveals a Second Binding Mode of the Integrin Alpha2 I Domain to the Gfoger Motif in Collagens. Plos One, 8, 2013
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4BJT
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![BU of 4bjt by Molmil](/molmil-images/mine/4bjt) | Crystal structure of the Rap1 C-terminal domain (Rap1-RCT) in complex with the Rap1 binding module of Rif1 (Rif1-RBM) | Descriptor: | 1,2-ETHANEDIOL, DNA-BINDING PROTEIN RAP1, TELOMERE LENGTH REGULATOR PROTEIN RIF1 | Authors: | Shi, T, Bunker, R.D, Gut, H, Scrima, A, Thoma, N.H. | Deposit date: | 2013-04-19 | Release date: | 2013-06-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Rif1 and Rif2 Shape Telomere Funcation and Architecture Through Multivalent RAP1 Interactions Cell(Cambridge,Mass.), 153, 2013
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4O6G
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![BU of 4o6g by Molmil](/molmil-images/mine/4o6g) | Rv3902c from M. tuberculosis | Descriptor: | Uncharacterized protein | Authors: | Reddy, B.G, Moates, D.B, Kim, H, Green, T.J, Kim, C, Terwilliger, T.J, Delucas, L.J, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2013-12-20 | Release date: | 2014-03-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 1.55 angstrom resolution X-ray crystal structure of Rv3902c from Mycobacterium tuberculosis. Acta Crystallogr F Struct Biol Commun, 70, 2014
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4O87
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![BU of 4o87 by Molmil](/molmil-images/mine/4o87) | Crystal structure of a N-tagged Nuclease | Descriptor: | CITRIC ACID, N-tagged Nuclease, SULFATE ION | Authors: | Chakravarty, A.K, Smith, P, Shuman, S. | Deposit date: | 2013-12-26 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure, mechanism, and specificity of a eukaryal tRNA restriction enzyme involved in self-nonself discrimination. Cell Rep, 7, 2014
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4BJ6
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![BU of 4bj6 by Molmil](/molmil-images/mine/4bj6) | Crystal structure Rif2 in complex with the C-terminal domain of Rap1 (Rap1-RCT) | Descriptor: | DNA-BINDING PROTEIN RAP1, RAP1-INTERACTING FACTOR 2, SULFATE ION | Authors: | Shi, T, Bunker, R.D, Gut, H, Scrima, A, Thoma, N.H. | Deposit date: | 2013-04-16 | Release date: | 2013-06-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | Rif1 and Rif2 Shape Telomere Funcation and Architecture Through Multivalent RAP1 Interactions Cell(Cambridge,Mass.), 153, 2013
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4OMT
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5TER
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![BU of 5ter by Molmil](/molmil-images/mine/5ter) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ651), a Non-nucleoside Inhibitor | Descriptor: | 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | Authors: | Chan, A.H, Anderson, K.S. | Deposit date: | 2016-09-22 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents. ACS Med Chem Lett, 7, 2016
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3ZDU
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![BU of 3zdu by Molmil](/molmil-images/mine/3zdu) | Crystal structure of the human CDKL3 kinase domain | Descriptor: | 1,2-ETHANEDIOL, CYCLIN-DEPENDENT KINASE-LIKE 3, SODIUM ION, ... | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Pike, A.C.W, Quigley, A, MacKenzie, A, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2012-11-30 | Release date: | 2013-03-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function. Cell Rep, 22, 2018
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4P0D
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![BU of 4p0d by Molmil](/molmil-images/mine/4p0d) | The T6 backbone pilin of serotype M6 Streptococcus pyogenes has a modular three-domain structure decorated with variable loops and extensions | Descriptor: | CALCIUM ION, IODIDE ION, Trypsin-resistant surface T6 protein | Authors: | Young, P.G, Moreland, N.J, Loh, J.M, Bell, A, Atatoa-Carr, P, Proft, T, Baker, E.N. | Deposit date: | 2014-02-20 | Release date: | 2014-08-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Conservation, Variability, and Immunogenicity of the T6 Backbone Pilin of Serotype M6 Streptococcus pyogenes. Infect.Immun., 82, 2014
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4P0L
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4OLC
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![BU of 4olc by Molmil](/molmil-images/mine/4olc) | |