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8VF6
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BU of 8vf6 by Molmil
Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211
分子名称: Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
著者Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M.
登録日2023-12-21
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Reversible male contraception by targeted inhibition of serine/threonine kinase 33.
Science, 384, 2024
4XHH
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BU of 4xhh by Molmil
Structure of C. glabrata Hrr25, Apo state
分子名称: PHOSPHATE ION, Similar to uniprot|P29295 Saccharomyces cerevisiae YPL204w HRR25
著者Ye, Q, Corbett, K.D.
登録日2015-01-05
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.908 Å)
主引用文献Structure of the Saccharomyces cerevisiae Hrr25:Mam1 monopolin subcomplex reveals a novel kinase regulator.
Embo J., 35, 2016
3JUH
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BU of 3juh by Molmil
Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity
分子名称: CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ...
著者Niefind, K, Issinger, O.-G.
登録日2009-09-15
公開日2009-10-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate
J.Mol.Biol., 347, 2005
4XJB
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BU of 4xjb by Molmil
X-ray structure of Lysozyme1
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
登録日2015-01-08
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJG
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X-ray structure of Lysozyme B2
分子名称: BROMIDE ION, Lysozyme C, SODIUM ION
著者Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
登録日2015-01-08
公開日2015-06-03
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
6R6X
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BU of 6r6x by Molmil
Crystal structure of di-phosphorylated human CLK1 in complex with 5-(1-methyl-1H-indol-3-yl)pyrimidin-4-amine
分子名称: 5-(1-methylindol-3-yl)pyrimidin-4-amine, Dual specificity protein kinase CLK1
著者Livnah, O, Domovich, Y.
登録日2019-03-28
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of di-phosphorylated human CLK1 in complex with 5-(1-methyl-1H-indol-3-yl)pyrimidin-4-amine
To Be Published
4XJI
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BU of 4xji by Molmil
X-ray structure of LysozymeS2
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
登録日2015-01-08
公開日2015-06-03
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
3K4V
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BU of 3k4v by Molmil
New crystal form of HIV-1 Protease/Saquinavir structure reveals carbamylation of N-terminal proline
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Olajuyigbe, F.M, Demitri, N, Ajele, J.O, Maurizio, E, Randaccio, L, Geremia, S.
登録日2009-10-06
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Carbamylation of N-terminal proline.
ACS Med Chem Lett, 1, 2010
6RAV
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BU of 6rav by Molmil
Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
分子名称: 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-04-08
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
4XOJ
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BU of 4xoj by Molmil
Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1)
分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, CALCIUM ION, ...
著者Golik, P, Malicki, S, Grudnik, P, Karna, N, Debowski, D, Legowska, A, Wladyka, B, Gitlin, A, Brzozowski, K, Dubin, G, Rolka, K.
登録日2015-01-16
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1).
Chembiochem, 16, 2015
3KA0
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BU of 3ka0 by Molmil
MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
分子名称: 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide, MAP kinase-activated protein kinase 2
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2009-10-16
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
6RCH
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BU of 6rch by Molmil
Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor
分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SODIUM ION, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Roush, W.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-04-11
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor
To Be Published
4XC4
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BU of 4xc4 by Molmil
Insulin co-crystallizes in the presence of it beta-cell chaperone sulfatide
分子名称: CHLORIDE ION, Insulin, SODIUM ION, ...
著者Bracey, A.W, Magis, A.T, Buschard, K, Osterbye, T, Bailey, K.M, Ostrov, D.A.
登録日2014-12-17
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Insulin co-crystallizes in the presence of it beta-cell chaperone sulfatide
To Be Published
3JSD
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BU of 3jsd by Molmil
Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G.
登録日2009-09-10
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
4XID
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BU of 4xid by Molmil
AntpHD with 15bp DNA duplex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
著者White, M.A, Zandarashvili, L, Iwahara, J.
登録日2015-01-06
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate.
Biophys.J., 109, 2015
6R49
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Aurora-A in complex with shape-diverse fragment 39
分子名称: (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者Bayliss, R, McIntyre, P.J.
登録日2019-03-22
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
3K3J
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BU of 3k3j by Molmil
P38alpha bound to novel DFG-out compound PF-00416121
分子名称: 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
著者Kazmirski, S.L, DiNitto, J.P.
登録日2009-10-02
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009
4XJD
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BU of 4xjd by Molmil
X-ray structure of Lysozyme2
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
登録日2015-01-08
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJH
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BU of 4xjh by Molmil
X-ray structure of LysozymeS1
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
登録日2015-01-08
公開日2015-06-03
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
8YGY
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BU of 8ygy by Molmil
Structure of the KLK1 from Biortus.
分子名称: 1,2-ETHANEDIOL, Kallikrein-1, SULFATE ION, ...
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y.
登録日2024-02-27
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structure of the KLK1 from Biortus.
To Be Published
6RA7
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BU of 6ra7 by Molmil
Human tnik in complex with compound 9
分子名称: 1,2-ETHANEDIOL, 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol, MAGNESIUM ION, ...
著者Read, J.A.
登録日2019-04-05
公開日2019-11-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
6RAT
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BU of 6rat by Molmil
EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K
分子名称: RIBONUCLEASE A
著者Tilton Jr, R.F, Dewan, J.C, Petsko, G.A, Burley, S.K.
登録日1991-08-13
公開日1993-07-15
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K.
Biochemistry, 31, 1992
9B7E
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BU of 9b7e by Molmil
S_SAD structure of HEWL using lossy compression data with a compression ratio of 422
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K.
登録日2024-03-27
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments
To Be Published
4XP3
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BU of 4xp3 by Molmil
Crystal structure of ERK2 in complex with an inhibitor
分子名称: 2-amino-1,9-dihydro-6H-purine-6-thione, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-16
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4XHZ
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BU of 4xhz by Molmil
Crystal Structure of Human Protocadherin-15 EC8-10
分子名称: CALCIUM ION, CHLORIDE ION, Protocadherin-15
著者Araya-Secchi, R, Sotomayor, M.
登録日2015-01-06
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献An elastic element in the protocadherin-15 tip link of the inner ear.
Nat Commun, 7, 2016

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