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3LN2
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BU of 3ln2 by Molmil
Crystal Structure of a Charge Engineered Human Lysozyme Variant
分子名称: Lysozyme C
著者Gill, A, Scanlon, T.C, Griswold, K.E.
登録日2010-02-01
公開日2011-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.037 Å)
主引用文献Crystal structure of a charge engineered human lysozyme having enhanced bactericidal activity.
Plos One, 6, 2011
4YFE
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Crystal structure of PTP delta Fn1-Fn2
分子名称: Receptor-type tyrosine-protein phosphatase delta
著者Yamagata, A, Fukai, S.
登録日2015-02-25
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation.
Nat Commun, 6, 2015
3LNE
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BU of 3lne by Molmil
Crystal structure of E-cadherin EC12 K14E
分子名称: CALCIUM ION, Cadherin-1, GLYCEROL
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2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two-step adhesive binding by classical cadherins.
Nat.Struct.Mol.Biol., 17, 2010
4YGW
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BU of 4ygw by Molmil
RNase S in complex with stabilized S peptide
分子名称: 1-hydroxypropan-2-one, Ribonuclease A C2, S-peptide: ACE-LYS-GLU-THR-ALA-ALA-HCS-LYS-PHE-GLU-HCS-GLN-HIS-MET-ASP-SER, ...
著者Assem, N, Ferreira, D, Wolan, D.W, Dawson, P.E.
登録日2015-02-26
公開日2015-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling.
Angew.Chem.Int.Ed.Engl., 54, 2015
3L5E
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BU of 3l5e by Molmil
Structure of BACE Bound to SCH736062
分子名称: (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, 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 (1.53 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
3LHM
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BU of 3lhm by Molmil
CRYSTAL STRUCTURES OF THE APO-AND HOLOMUTANT HUMAN LYSOZYMES WITH AN INTRODUCED CA2+ BINDING SITE
分子名称: CALCIUM ION, HUMAN LYSOZYME
著者Inaka, K, Matsushima, M.
登録日1991-10-02
公開日1992-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the apo- and holomutant human lysozymes with an introduced Ca2+ binding site.
J.Biol.Chem., 266, 1991
3L61
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BU of 3l61 by Molmil
Crystal structure of substrate-free P450cam at 200 mM [K+]
分子名称: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B.
登録日2009-12-22
公開日2010-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献P450cam visits an open conformation in the absence of substrate.
Biochemistry, 49, 2010
4YBP
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BU of 4ybp by Molmil
Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human cellular retinoic acid binding proteinii with retinal after 24 hour incubation at 1.83 angstrom resolution - thermodynamic product - 1st cycle
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.H.
登録日2015-02-19
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.831 Å)
主引用文献A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
4YKO
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Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y:A32Y:F3Q mutant of human Cellular Retinoic Acid Binding Protein II with Retinal at 1.58 angstrom resolution
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.
登録日2015-03-04
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
6Q20
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BU of 6q20 by Molmil
Crystal structure of human 1E01 Fab in complex with influenza virus neuraminidase from A/Japan/305/1957 (H2N2)
分子名称: 1E01 Fab IgG1 heavy chain, 1E01 Fab kappa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhu, X, Wilson, I.A.
登録日2019-08-06
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Broadly protective human antibodies that target the active site of influenza virus neuraminidase.
Science, 366, 2019
4YDF
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BU of 4ydf by Molmil
Crystal structure of compound 9 in complex with HTLV-1 Protease
分子名称: HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION
著者Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E.
登録日2015-02-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015
4YLC
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BU of 4ylc by Molmil
Crystal Structure of Del-C4 mutant of hsp14.1 from Sulfolobus solfatataricus P2
分子名称: CHLORIDE ION, Heat shock protein Hsp20
著者Liu, L, Chen, J.Y, Yun, C.H.
登録日2015-03-05
公開日2015-11-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function
Structure, 23, 2015
4YEH
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BU of 4yeh by Molmil
Crystal structure of Mg2+ ion containing hemopexin fold from Kabuli chana (chickpea white) at 2.45A resolution reveals a structural basis of metal ion transport
分子名称: Lectin, MAGNESIUM ION
著者Kumar, S, Singh, A, Yamini, S, Bhushan, A, Dey, S, Sharma, S, Singh, T.P.
登録日2015-02-24
公開日2015-03-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Mg(2+) Containing Hemopexin-Fold Protein from Kabuli Chana (Chickpea-White, CW-25) at 2.45 angstrom Resolution Reveals Its Metal Ion Transport Property
Protein J., 34, 2015
6QAG
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BU of 6qag by Molmil
ERK2 mini-fragment binding
分子名称: 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-19
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6Q3B
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BU of 6q3b by Molmil
CDK2 in complex with FragLite2
分子名称: 4-IODOPYRAZOLE, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-04
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
4YEO
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BU of 4yeo by Molmil
Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ...
著者Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2015-02-24
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
6QAT
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BU of 6qat by Molmil
Crystal structure of ULK2 in complexed with hesperadin
分子名称: N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide, Serine/threonine-protein kinase ULK2
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-12-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
6Q49
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BU of 6q49 by Molmil
CDK2 in complex with FragLite6
分子名称: 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
6Q4G
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BU of 6q4g by Molmil
CDK2 in complex with FragLite37
分子名称: 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
3LIX
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BU of 3lix by Molmil
crystal structure of htlv protease complexed with the inhibitor KNI-10729
分子名称: N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide, Protease, ZINC ION
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
4YOE
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Structure of UP1 bound to RNA 5'-AGU-3'
分子名称: ACETATE ION, Heterogeneous nuclear ribonucleoprotein A1, RNA AGU, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2015-03-11
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The First Crystal Structure of the UP1 Domain of hnRNP A1 Bound to RNA Reveals a New Look for an Old RNA Binding Protein.
J.Mol.Biol., 427, 2015
3L5I
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BU of 3l5i by Molmil
Crystal structure of FnIII domains of human GP130 (Domains 4-6)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta
著者Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E.
登録日2009-12-22
公開日2010-05-12
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
4YGZ
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BU of 4ygz by Molmil
CRYSTAL STRUCTURE OF THE R111K:Y134F:T54V:R132Q:P39Y:R59Y MUTANT OF HUMAN CELLULAR RETINOIC ACID BINDING PROTEIN II WITH RETINAL AT 2.06 ANGSTROM RESOLUTION - VISIBLE LIGHT IRRADIATED CRYSTAL -3RD CYCLE
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.H.
登録日2015-02-26
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
4YOP
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CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Sugahara, M, Nakane, T, Suzuki, M, Nango, E.
登録日2015-03-12
公開日2015-12-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Native sulfur/chlorine SAD phasing for serial femtosecond crystallography
Acta Crystallogr.,Sect.D, 71, 2015
6PU5
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MicroED structure of proteinase K recorded on CetaD
分子名称: CALCIUM ION, Proteinase K
著者Hattne, J, Martynowycz, M.W, Penzcek, P.A, Gonen, T.
登録日2019-07-17
公開日2019-08-28
最終更新日2023-10-11
実験手法ELECTRON CRYSTALLOGRAPHY (2.7 Å)
主引用文献MicroED with the Falcon III direct electron detector.
Iucrj, 6, 2019

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