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4J52
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Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor
Descriptor: 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Hosfield, D.J, Skene, R.J.
Deposit date:2013-02-07
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
2FVP
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BU of 2fvp by Molmil
A Structural Study of the CA Dinucleotide Step in the Integrase Processing Site of Moloney Murine Leukemia Virus
Descriptor: 5'-D(*TP*TP*TP*CP*AP*TP*TP*GP*CP*AP*AP*TP*GP*AP*AP*A)-3', Reverse transcriptase
Authors:Montano, S.P, Cote, M.L, Roth, M.J, Georgiadis, M.M.
Deposit date:2006-01-31
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structures of oligonucleotides including the integrase processing site of the Moloney murine leukemia virus.
Nucleic Acids Res., 34, 2006
2FR3
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Crystal Structure of Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans-Retinoic Acid at 1.48 Angstroms Resolution
Descriptor: ACETATE ION, Cellular retinoic acid binding protein 2, RETINOIC ACID
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2006-01-18
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The structure of Apo-wild-type cellular retinoic acid binding protein II at 1.4 A and its relationship to ligand binding and nuclear translocation.
J.Mol.Biol., 363, 2006
2FRF
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BU of 2frf by Molmil
Horse Heart Myoglobin, Nitrite Adduct, Crystal Soak
Descriptor: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
Deposit date:2006-01-19
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
2N3J
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Solution Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1
Descriptor: Heat shock protein beta-1
Authors:Rajagopal, P, Liu, Y, Shi, L, Klevit, R.E.
Deposit date:2015-06-03
Release date:2015-08-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1.
J.Biomol.Nmr, 63, 2015
2FS7
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BU of 2fs7 by Molmil
Crystal Structure of Apo-Cellular Retinoic Acid Binding Protein Type II At 1.55 Angstroms Resolution
Descriptor: ACETATE ION, CHLORIDE ION, Cellular retinoic acid-binding protein 2
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2006-01-21
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The structure of Apo-wild-type cellular retinoic acid binding protein II at 1.4 A and its relationship to ligand binding and nuclear translocation.
J.Mol.Biol., 363, 2006
2FSL
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BU of 2fsl by Molmil
mitogen activated protein kinase p38alpha (D176A+F327S) activating mutant form-A
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Diskin, R, Livnah, O.
Deposit date:2006-01-23
Release date:2006-12-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of p38alpha Active Mutants Reveal Conformational Changes in L16 Loop that Induce Autophosphorylation and Activation
J.Mol.Biol., 365, 2007
2FOE
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BU of 2foe by Molmil
Structure of porcine pancreatic elastase in 80% hexane
Descriptor: (2S)-HEX-5-ENE-1,2-DIOL, CALCIUM ION, SULFATE ION, ...
Authors:Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D.
Deposit date:2006-01-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
4JT3
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BU of 4jt3 by Molmil
Crystal Structure of TTK kinase domain with an inhibitor: 400740
Descriptor: 1,2-ETHANEDIOL, 2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide, Dual specificity protein kinase TTK, ...
Authors:Qiu, W, Harris-Brandts, M, Feher, M, Awrey, D.E, Chirgadze, N.Y.
Deposit date:2013-03-22
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of TTK kinase domain with an inhibitor: 400740
To be Published
2FXE
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X-ray crystal structure of HIV-1 protease CRM mutant complexed with atazanavir (BMS-232632)
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
Authors:Sheriff, S, Klei, H.E.
Deposit date:2006-02-05
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir.
J.Virol., 81, 2007
2FY1
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A dual mode of RNA recognition by the RBMY protein
Descriptor: RNA-binding motif protein, Y chromosome, family 1 member A1, ...
Authors:Skrisovska, L, Bourgois, C, Stefl, R, Kister, L, Wenter, P, Elliot, D, Stevenin, J, Allain, F.H.T.
Deposit date:2006-02-07
Release date:2007-02-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The testis-specific human protein RBMY recognizes RNA through a novel mode of interaction.
EMBO Rep., 8, 2007
2N8L
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BU of 2n8l by Molmil
Zipcode-binding-protein-1 KH3KH4(DD) domains in complex with the KH3 RNA target
Descriptor: Insulin-like growth factor 2 mRNA-binding protein 1, RNA (5'-R(P*GP*CP*AP*CP*AP*CP*CP*C)-3')
Authors:Nicastro, G, Candel, A.M, Ramos, A, Hollingworth, D.
Deposit date:2015-10-21
Release date:2017-01-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Zipcode-binding-protein-1 KH3KH4(DD) domains in complex with the RNA target GCACACCC
To be Published
2FPZ
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BU of 2fpz by Molmil
Human tryptase with 2-amino benzimidazole
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-17
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2N8M
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BU of 2n8m by Molmil
Zipcode-binding-protein-1 KH3(DD)KH4 domains in complex with the KH4 RNA target
Descriptor: Insulin-like growth factor 2 mRNA-binding protein 1, RNA (5'-R(P*UP*CP*GP*GP*AP*CP*U)-3')
Authors:Nicastro, G, Ramos, A, Candel, A, Hollingworth, D.
Deposit date:2015-10-21
Release date:2017-01-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Zipcode-binding-protein-1 KH3(DD)KH4 domains in complex with the RNA target UCGGACU
To be Published
2G0R
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BU of 2g0r by Molmil
Unphotolyzed CO-bound L29F Myoglobin
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N.
Deposit date:2006-02-13
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
2FRK
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BU of 2frk by Molmil
Nitrosyl Horse Heart Myoglobin, Nitric Oxide Gas Method
Descriptor: Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
Deposit date:2006-01-19
Release date:2006-05-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
4JX3
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BU of 4jx3 by Molmil
Crystal structure of Pim1 kinase
Descriptor: Serine/threonine-protein kinase pim-1
Authors:Lee, S.J, Han, B.G, Cho, J.W, Choi, J.S, Lee, J.K, Song, H.J, Koh, J.S, Lee, B.I.
Deposit date:2013-03-27
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode.
Plos One, 8, 2013
2FS8
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BU of 2fs8 by Molmil
Human beta-tryptase II with inhibitor CRA-29382
Descriptor: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-21
Release date:2006-03-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2N1B
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BU of 2n1b by Molmil
NMR solution structure of nucleotide-free Ran GTPase
Descriptor: GTP-binding nuclear protein Ran
Authors:Bacot-Davis, V.R, Palmenberg, A.C.
Deposit date:2015-03-26
Release date:2016-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure of Ran GTPase Determines C-terminal Tail Conformational Dynamics.
To be Published
2G27
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BU of 2g27 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2FT9
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BU of 2ft9 by Molmil
Crystal structure of axolotl (Ambystoma mexicanum) liver bile acid-binding protein bound to cholic acid
Descriptor: CHOLIC ACID, Fatty acid-binding protein 2, liver
Authors:Capaldi, S, Guariento, M, Perduca, M, Di Pietro, S.M, Santome, J.A, Monaco, H.L.
Deposit date:2006-01-24
Release date:2006-04-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of axolotl (Ambystoma mexicanum) liver bile acid-binding protein bound to cholic and oleic acid
Proteins, 64, 2006
2N99
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BU of 2n99 by Molmil
Solution structure of the SLURP-2, a secreted isoform of Lynx1
Descriptor: Ly-6/neurotoxin-like protein 1
Authors:Paramonov, A.S, Shenkarev, Z.O, Lyukmanova, E.N, Arseniev, A.S.
Deposit date:2015-11-11
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Secreted Isoform of Human Lynx1 (SLURP-2): Spatial Structure and Pharmacology of Interactions with Different Types of Acetylcholine Receptors.
Sci Rep, 6, 2016
2MSW
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BU of 2msw by Molmil
Ligand-induced folding of a receiver domain
Descriptor: Response regulator/sensor histidine kinase
Authors:Ocasio, V.J, Correa, F, Gardner, K.H.
Deposit date:2014-08-08
Release date:2015-02-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ligand-induced folding of a two-component signaling receiver domain.
Biochemistry, 54, 2015
2MRJ
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BU of 2mrj by Molmil
Structure of Fyn protein SH2 bound
Descriptor: Tyrosine-protein kinase Fyn
Authors:Huculeci, R, Buts, L, Lenaerts, T, Van Nuland, N.
Deposit date:2014-07-09
Release date:2015-07-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dynamically Coupled Residues within the SH2 Domain of FYN Are Key to Unlocking Its Activity.
Structure, 24, 2016
2FN4
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BU of 2fn4 by Molmil
The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein R-Ras
Authors:Turnbull, A.P, Elkins, J.M, Gileadi, C, Burgess, N, Salah, E, Papagrigoriou, E, Debreczeni, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-01-10
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published

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