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4N6U
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Adhiron: a stable and versatile peptide display scaffold - truncated adhiron
Descriptor: Adhiron
Authors:Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
Deposit date:2013-10-14
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.251 Å)
Cite: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
Descriptor: 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
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
3ZEF
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BU of 3zef by Molmil
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
3ZKA
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BU of 3zka by Molmil
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
3ZKW
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BU of 3zkw by Molmil
Periplasmic Binding Protein CeuE apo form
Descriptor: ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN
Authors:Raines, D.J, Moroz, O.V, Wilson, K.S, Duhme-Klair, A.K.
Deposit date:2013-01-25
Release date:2013-04-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Interactions of a Periplasmic Binding Protein with a Tetradentate Siderophore Mimic.
Angew.Chem.Int.Ed.Engl., 52, 2013
3ZJB
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BU of 3zjb by Molmil
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
3ZO3
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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
4N0J
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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
3ZO2
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BU of 3zo2 by Molmil
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
4OMM
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BU of 4omm by Molmil
Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant N113S
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-01-27
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 3zng by Molmil
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
4P0J
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BU of 4p0j by Molmil
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
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)
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
4B99
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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
4BJ3
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BU of 4bj3 by Molmil
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
4BJT
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BU of 4bjt by Molmil
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
4O6G
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BU of 4o6g by Molmil
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
4O87
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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
4BJ6
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BU of 4bj6 by Molmil
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
4OMT
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BU of 4omt by Molmil
Crystal structure of human muscle phosphofructokinase (dissociated homodimer)
Descriptor: 6-phosphofructokinase, muscle type
Authors:Kloos, M, Straeter, N.
Deposit date:2014-01-27
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (6 Å)
Cite: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
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
3ZDU
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BU of 3zdu by Molmil
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
4P0D
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BU of 4p0d by Molmil
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
4P0L
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BU of 4p0l by Molmil
Crystal Structure of Double Loop-Swapped Interleukin-36Ra With Additional Point Mutations
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 (1.55 Å)
Cite:Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor.
J Immunol., 193, 2014
4OLC
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BU of 4olc by Molmil
Carbamate kinase from Giardia lamblia thiocarbamoylated by disulfiram on Cys242
Descriptor: CITRIC ACID, Carbamate kinase, DIETHYLCARBAMODITHIOIC ACID
Authors:Lim, K, Herzberg, O.
Deposit date:2014-01-23
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Inactivation of Giardia lamblia Carbamate Kinase by Disulfiram.
J.Biol.Chem., 289, 2014

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