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4N6U
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Adhiron: a stable and versatile peptide display scaffold - truncated adhiron
分子名称: Adhiron
著者Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
登録日2013-10-14
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
5UP3
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BU of 5up3 by Molmil
Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
分子名称: 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5
著者Dougan, D.R.
登録日2017-02-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
3ZEF
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Crystal structure of Prp8:Aar2 complex: second crystal form at 3.1 Angstrom resolution
分子名称: A1 CISTRON-SPLICING FACTOR AAR2, PRE-MRNA-SPLICING FACTOR 8
著者Galej, W.P, Oubridge, C, Newman, A.J, Nagai, K.
登録日2012-12-05
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of Prp8 Reveals Active Site Cavity of the Spliceosome
Nature, 493, 2013
3ZKA
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CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-BOUND, OPEN STATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
著者Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
登録日2013-01-22
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
3ZKW
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Periplasmic Binding Protein CeuE apo form
分子名称: ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN
著者Raines, D.J, Moroz, O.V, Wilson, K.S, Duhme-Klair, A.K.
登録日2013-01-25
公開日2013-04-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Interactions of a Periplasmic Binding Protein with a Tetradentate Siderophore Mimic.
Angew.Chem.Int.Ed.Engl., 52, 2013
3ZJB
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The structure of the TRAF domain of human TRAF4
分子名称: CHLORIDE ION, TNF RECEPTOR-ASSOCIATED FACTOR 4
著者McEwen, A.G, Poussin-Courmontagne, P, Rousseau, A, Rogna, D, Nomine, Y, Rio, M.-C, Tomasetto, C, Alpy, F.
登録日2013-01-17
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Traf4 is a Novel Phosphoinositide-Binding Protein Modulating Tight Junctions and Favoring Cell Migration.
Plos Biol., 11, 2013
3ZO3
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The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
分子名称: 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
登録日2013-02-20
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
4N0J
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Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A resolution
分子名称: 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, ...
著者McGovern, R.E, Crowley, P.B.
登録日2013-10-02
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural study of a small molecule receptor bound to dimethyllysine in lysozyme.
Chem Sci, 6, 2015
3ZO2
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The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
登録日2013-02-20
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
4OMM
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Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant N113S
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, ...
著者Camara-Artigas, A, Bacarizo, J.
登録日2014-01-27
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The role of Gutamine 128 of the SH3 domain of the c-Src tyrosine kinase in 3D domain swapping and amyloid formation
To be Published
3ZNG
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Ankyrin repeat and SOCS-box protein 9 (ASB9) in complex with ElonginB and ElonginC
分子名称: 1,2-ETHANEDIOL, ANKYRIN REPEAT AND SOCS BOX PROTEIN 9, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ...
著者Thomas, J, Van Molle, I, Ciulli, A.
登録日2013-02-14
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献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
4P0J
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BU of 4p0j by Molmil
Crystal Structure of Loop-Swapped Interleukin-36Ra
分子名称: Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein
著者Guenther, S, Sundberg, E.J.
登録日2014-02-21
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J Immunol., 193, 2014
4BDJ
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BU of 4bdj by Molmil
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)
分子名称: 3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine, CHECKPOINT KINASE 2, NITRATE ION
著者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.
登録日2012-10-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
4B99
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Crystal Structure of MAPK7 (ERK5) with inhibitor
分子名称: 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
著者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.
登録日2012-09-03
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-Ray Crystal Structure of Erk5 (Mapk7) in Complex with a Specific Inhibitor.
J.Med.Chem., 56, 2013
4BJ3
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Integrin alpha2 I domain E318W-collagen complex
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GFOGER PEPTIDE, ...
著者Carafoli, F, Hamaia, S.W, Bihan, D, Hohenester, E, Farndale, R.W.
登録日2013-04-16
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.042 Å)
主引用文献An Activating Mutation Reveals a Second Binding Mode of the Integrin Alpha2 I Domain to the Gfoger Motif in Collagens.
Plos One, 8, 2013
4BJT
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Crystal structure of the Rap1 C-terminal domain (Rap1-RCT) in complex with the Rap1 binding module of Rif1 (Rif1-RBM)
分子名称: 1,2-ETHANEDIOL, DNA-BINDING PROTEIN RAP1, TELOMERE LENGTH REGULATOR PROTEIN RIF1
著者Shi, T, Bunker, R.D, Gut, H, Scrima, A, Thoma, N.H.
登録日2013-04-19
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Rif1 and Rif2 Shape Telomere Funcation and Architecture Through Multivalent RAP1 Interactions
Cell(Cambridge,Mass.), 153, 2013
4O6G
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Rv3902c from M. tuberculosis
分子名称: Uncharacterized protein
著者Reddy, B.G, Moates, D.B, Kim, H, Green, T.J, Kim, C, Terwilliger, T.J, Delucas, L.J, TB Structural Genomics Consortium (TBSGC)
登録日2013-12-20
公開日2014-03-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献1.55 angstrom resolution X-ray crystal structure of Rv3902c from Mycobacterium tuberculosis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4O87
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Crystal structure of a N-tagged Nuclease
分子名称: CITRIC ACID, N-tagged Nuclease, SULFATE ION
著者Chakravarty, A.K, Smith, P, Shuman, S.
登録日2013-12-26
公開日2014-10-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure, mechanism, and specificity of a eukaryal tRNA restriction enzyme involved in self-nonself discrimination.
Cell Rep, 7, 2014
4BJ6
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Crystal structure Rif2 in complex with the C-terminal domain of Rap1 (Rap1-RCT)
分子名称: DNA-BINDING PROTEIN RAP1, RAP1-INTERACTING FACTOR 2, SULFATE ION
著者Shi, T, Bunker, R.D, Gut, H, Scrima, A, Thoma, N.H.
登録日2013-04-16
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献Rif1 and Rif2 Shape Telomere Funcation and Architecture Through Multivalent RAP1 Interactions
Cell(Cambridge,Mass.), 153, 2013
4OMT
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Crystal structure of human muscle phosphofructokinase (dissociated homodimer)
分子名称: 6-phosphofructokinase, muscle type
著者Kloos, M, Straeter, N.
登録日2014-01-27
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Crystallization and preliminary crystallographic analysis of human muscle phosphofructokinase, the main regulator of glycolysis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
5TER
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BU of 5ter by Molmil
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
分子名称: 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, ...
著者Chan, A.H, Anderson, K.S.
登録日2016-09-22
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents.
ACS Med Chem Lett, 7, 2016
3ZDU
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Crystal structure of the human CDKL3 kinase domain
分子名称: 1,2-ETHANEDIOL, CYCLIN-DEPENDENT KINASE-LIKE 3, SODIUM ION, ...
著者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.
登録日2012-11-30
公開日2013-03-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
4P0D
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The T6 backbone pilin of serotype M6 Streptococcus pyogenes has a modular three-domain structure decorated with variable loops and extensions
分子名称: CALCIUM ION, IODIDE ION, Trypsin-resistant surface T6 protein
著者Young, P.G, Moreland, N.J, Loh, J.M, Bell, A, Atatoa-Carr, P, Proft, T, Baker, E.N.
登録日2014-02-20
公開日2014-08-27
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Conservation, Variability, and Immunogenicity of the T6 Backbone Pilin of Serotype M6 Streptococcus pyogenes.
Infect.Immun., 82, 2014
4P0L
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Crystal Structure of Double Loop-Swapped Interleukin-36Ra With Additional Point Mutations
分子名称: Interleukin-36 receptor antagonist/Interleukin-36 gamma chimera protein
著者Guenther, S, Sundberg, E.J.
登録日2014-02-21
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J Immunol., 193, 2014
4OLC
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Carbamate kinase from Giardia lamblia thiocarbamoylated by disulfiram on Cys242
分子名称: CITRIC ACID, Carbamate kinase, DIETHYLCARBAMODITHIOIC ACID
著者Lim, K, Herzberg, O.
登録日2014-01-23
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Inactivation of Giardia lamblia Carbamate Kinase by Disulfiram.
J.Biol.Chem., 289, 2014

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