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2JBP
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BU of 2jbp by Molmil
Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization)
分子名称: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP KINASE-ACTIVATED PROTEIN KINASE 2
著者Hillig, R.C, Eberspaecher, U, Monteclaro, F, Huber, M, Nguyen, D, Mengel, A, Muller-Tiemann, B, Egner, U.
登録日2006-12-09
公開日2007-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Structural basis for a high affinity inhibitor bound to protein kinase MK2.
J. Mol. Biol., 369, 2007
2JDT
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BU of 2jdt by Molmil
Structure of PKA-PKB chimera complexed with ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE
分子名称: CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
著者Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, McHardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D.
登録日2007-01-12
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
3LFA
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BU of 3lfa by Molmil
Human p38 MAP Kinase in Complex with Dasatinib
分子名称: Mitogen-activated protein kinase 14, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
2JET
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BU of 2jet by Molmil
Crystal structure of a trypsin-like mutant (S189D , A226G) chymotrypsin.
分子名称: CHYMOTRYPSINOGEN B CHAIN A, CHYMOTRYPSINOGEN B CHAIN B, CHYMOTRYPSINOGEN B CHAIN C
著者Jelinek, B, Katona, G, Fodor, K, Venekei, I, Graf, L.
登録日2007-01-22
公開日2007-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of a Trypsin-Like Mutant Chymotrypsin: The Role of Position 226 in the Activity and Specificity of S189D Chymotrypsin.
Protein J., 27, 2008
3LJJ
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Bovine trypsin in complex with UB-THR 10
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
著者Wegscheid-Gerlach, C, Heine, A, Klebe, G.
登録日2010-01-26
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
J.Mol.Biol., 405, 2011
2JBA
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BU of 2jba by Molmil
PhoB response regulator receiver domain constitutively-active double mutant D53A and Y102C.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB, SODIUM ION
著者Arribas-Bosacoma, R, Ferrer-Orta, C, Kim, S.-K, Blanco, A.G, Pereira, P.J.B, Gomis-Ruth, F.X, Wanner, B.L, Coll, M, Sola, M.
登録日2006-12-05
公開日2007-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The X-Ray Crystal Structures of Two Constitutively Active Mutants of the Escherichia Coli Phob Receiver Domain Give Insights Into Activation.
J.Mol.Biol., 366, 2007
7BFL
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BU of 7bfl by Molmil
X-ray structure of SS-RNase-2 des116-120
分子名称: Angiogenin-1
著者Sica, F, Russo Krauss, I, Troisi, R.
登録日2021-01-04
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition.
Int.J.Biol.Macromol., 182, 2021
3LBN
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BU of 3lbn by Molmil
Ras soaked in Magnesium Acetate
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Holzapfel, G, Buhrman, G, Mattos, C.
登録日2010-01-08
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.862 Å)
主引用文献Allosteric modulation of Ras positions Q61 for a direct role in catalysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
著者Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
3LDL
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BU of 3ldl by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP
分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
登録日2010-01-13
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
2JD5
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BU of 2jd5 by Molmil
Sky1p bound to Npl3p-derived substrate peptide
分子名称: MAGNESIUM ION, NUCLEOLAR PROTEIN 3, SERINE/THREONINE-PROTEIN KINASE SKY1, ...
著者Nolen, B, Lukasiewicz, R, Adams, J.A, Huang, D, Ghosh, G.
登録日2007-01-04
公開日2007-02-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Rgg Domain of Npl3P Recruits Sky1P Through Docking Interactions
J.Mol.Biol., 367, 2007
7BFK
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BU of 7bfk by Molmil
X-ray structure of SS-RNase-2
分子名称: Angiogenin-1
著者Sica, F, Russo Krauss, I, Troisi, R.
登録日2021-01-04
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition.
Int.J.Biol.Macromol., 182, 2021
3LGI
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BU of 3lgi by Molmil
Structure of the protease domain of DegS (DegS-deltaPDZ) at 1.65 A
分子名称: PHOSPHATE ION, Protease degS
著者Sohn, J, Grant, R.A, Sauer, R.T.
登録日2010-01-20
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
3LPW
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BU of 3lpw by Molmil
Crystal structure of the FnIII-tandem A77-A78 from the A-band of titin
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, A77-A78 domain from Titin
著者Bucher, R.M, Mayans, O.
登録日2010-02-06
公開日2010-09-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The structure of the FnIII Tandem A77-A78 points to a periodically conserved architecture in the myosin-binding region of titin
J.Mol.Biol., 401, 2010
7BZW
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BU of 7bzw by Molmil
Structure of Hsp21
分子名称: Heat shock protein 21, chloroplastic
著者Lau, W.C.Y.
登録日2020-04-28
公開日2021-04-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural basis of substrate recognition and thermal protection by a small heat shock protein.
Nat Commun, 12, 2021
3LR7
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BU of 3lr7 by Molmil
Ferric horse heart myoglobin, nitrite adduct
分子名称: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yi, J, Richter-Addo, G.B.
登録日2010-02-10
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Synchrotron X-ray-Induced Photoreduction of Ferric Myoglobin Nitrite Crystals Gives the Ferrous Derivative with Retention of the O-Bonded Nitrite Ligand.
Biochemistry, 49, 2010
3LIZ
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BU of 3liz by Molmil
crystal structure of bla g 2 complexed with Fab 4C3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C3 monoclonal antibody Heavy Chain, ...
著者Li, M, Gustchina, A, Glesner, J, Wunschmann, S, Pomes, A, Wlodawer, A.
登録日2010-01-25
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanisms of allergen-antibody interaction of cockroach allergen Bla g 2 with monoclonal antibodies that inhibit IgE antibody binding.
Plos One, 6, 2011
2JAM
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BU of 2jam by Molmil
Crystal structure of human calmodulin-dependent protein kinase I G
分子名称: 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, CALCIUM ION, ...
著者Debreczeni, J.E, Bullock, A, Keates, T, Niesen, F.H, Salah, E, Shrestha, L, Smee, C, Sobott, F, Pike, A.C.W, Bunkoczi, G, von Delft, F, Turnbull, A, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S.
登録日2006-11-29
公開日2007-03-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Human Calmodulin-Dependent Protein Kinase I G
To be Published
7CRE
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BU of 7cre by Molmil
hnRNPK KH3 domain in complex with a ssDNA fragment from the SIRLOIN element
分子名称: Heterogeneous nuclear ribonucleoprotein K, SODIUM ION, ssDNA fragment
著者Yao, J, Sun, Q.
登録日2020-08-13
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Nuclear import receptors and hnRNPK mediates nuclear import and stress granule localization of SIRLOIN.
Cell.Mol.Life Sci., 78, 2021
3L5C
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BU of 3l5c by Molmil
Structure of BACE Bound to SCH723871
分子名称: 1-(4-cyanophenyl)-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
7CJ1
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BU of 7cj1 by Molmil
The crystal structure of FXIa serine protease domain in complex with benzamidine
分子名称: BENZAMIDINE, Coagulation factor XI
著者Jiang, L, Huang, M.
登録日2020-07-09
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structure of FXIa serine protease domain in complex with benzamidine.
To Be Published
2M2M
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BU of 2m2m by Molmil
Structure of [L-HisB24] insulin analogue at pH 1.9
分子名称: Insulin A chain, Insulin B chain
著者Zakova, L, Veverka, V, Jiracek, J.
登録日2012-12-28
公開日2013-03-06
最終更新日2013-06-05
実験手法SOLUTION NMR
主引用文献Structural integrity of the B24 site in human insulin is important for hormone functionality.
J.Biol.Chem., 288, 2013
7CTV
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BU of 7ctv by Molmil
Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain D489A mutant in complex with AMP-PNP and magnesium
分子名称: Leucine-rich repeat receptor-like serine/threonine/tyrosine-protein kinase SOBIR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wei, X, Wang, Y.L, Gu, T.Y, Xin, F.J.
登録日2020-08-20
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8856113 Å)
主引用文献Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain D489A mutant in complex with AMP-PNP and magnesium
To Be Published
7CTX
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BU of 7ctx by Molmil
Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain(residues 388-401 deleted) in complex with AMP-PNP and magnesium
分子名称: Leucine-rich repeat receptor-like serine/threonine/tyrosine-protein kinase SOBIR1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wei, X, Wang, Y.L, Gu, T.Y, Xin, F.J.
登録日2020-08-20
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献Crystal structure of Arabidopsis thaliana SOBIR1 kinase domain(residues 388-401 deleted) in complex with AMP-PNP and magnesium
To Be Published
3LND
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BU of 3lnd by Molmil
Crystal structure of cadherin-6 EC12 W4A
分子名称: CALCIUM ION, Cdh6 protein
著者Jin, X, Harrison, O, Shapiro, L.
登録日2010-02-02
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Two-step adhesive binding by classical cadherins.
Nat.Struct.Mol.Biol., 17, 2010

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