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3FE0
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BU of 3fe0 by Molmil
X-ray crystal structure of wild type human lysozyme in D2O
分子名称: Lysozyme C
著者Chiba-Kamoshida, K, Matsui, T, Chatake, T, Ohhara, T, Ostermann, A, Tanaka, I, Yutani, K, Niimura, N.
登録日2008-11-27
公開日2009-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Site-specific softening of peptide bonds by localized deuterium observed by neutron crystallography of human lysozyme hydrogen
To be Published
3ZL7
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BU of 3zl7 by Molmil
BACE2 FYNOMER COMPLEX
分子名称: BETA-SECRETASE 2, FYNOMER 2B-H11
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-28
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3FGZ
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BU of 3fgz by Molmil
Crystal Structure of CheY triple mutant F14E, N59M, E89R complexed with BeF3- and Mn2+
分子名称: AMMONIUM ION, BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY, ...
著者Wollish, A.C, Miller, P.J, Pazy, Y, Collins, E.J, Bourret, R.B.
登録日2008-12-08
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Matching Biochemical Reaction Kinetics to the Timescales of Life: Structural Determinants That Influence the Autodephosphorylation Rate of Response Regulator Proteins.
J.Mol.Biol., 392, 2009
4KS2
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BU of 4ks2 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
3FHP
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BU of 3fhp by Molmil
A neutron crystallographic analysis of a porcine 2Zn insulin at 2.0 A resolution
分子名称: Insulin, ZINC ION
著者Iwai, W, Kurihara, K, Yamada, T, Kobayashi, Y, Ohnishi, Y, Tanaka, I, Takahashi, H, Niimura, N.
登録日2008-12-09
公開日2009-10-20
最終更新日2023-11-01
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献A neutron crystallographic analysis of T6 porcine insulin at 2.1 A resolution
Acta Crystallogr.,Sect.D, 65, 2009
4GCC
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BU of 4gcc by Molmil
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 1
分子名称: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C
著者Helliwell, J.R, Tanley, S.W.M.
登録日2012-07-30
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation.
Acta Crystallogr.,Sect.D, 69, 2013
3FA9
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BU of 3fa9 by Molmil
Crystal structure of the apo R132K:Y134F:R111L:L121D mutant of cellular retinoic acid-binding protein II at 1.94 angstrom resolution
分子名称: ACETATE ION, Cellular retinoic acid-binding protein 2
著者Jia, X, Geiger, J.H.
登録日2008-11-16
公開日2009-10-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structures of apo cellular retinoic acid-binding protein II mutants: Structural integrity investigated through multiple site mutations
To be Published
4GDJ
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BU of 4gdj by Molmil
A subtype N10 neuraminidase-like protein of A/little yellow-shouldered bat/Guatemala/060/2010
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Zhu, X, Wilson, I.A.
登録日2012-07-31
公開日2012-09-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
3DXB
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BU of 3dxb by Molmil
Structure of the UHM domain of Puf60 fused to thioredoxin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, thioredoxin N-terminally fused to Puf60(UHM)
著者Corsini, L, Hothorn, M, Scheffzek, K, Stier, G, Sattler, M.
登録日2008-07-24
公開日2008-10-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dimerization and Protein Binding Specificity of the U2AF Homology Motif of the Splicing Factor Puf60.
J.Biol.Chem., 284, 2009
4K1J
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BU of 4k1j by Molmil
Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2013-04-05
公開日2013-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding
Sci Rep, 3, 2013
3ZK5
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BU of 3zk5 by Molmil
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group
分子名称: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2013-01-21
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
J.Am.Chem.Soc., 136, 2014
4GCF
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BU of 4gcf by Molmil
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 4
分子名称: DIMETHYL SULFOXIDE, Lysozyme C, PLATINUM (II) ION
著者Helliwell, J.R, Tanley, S.W.M.
登録日2012-07-30
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation.
Acta Crystallogr.,Sect.D, 69, 2013
3E0N
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BU of 3e0n by Molmil
The X-ray structure of Human Prostasin in complex with DFFR-chloromethyl ketone inhibitor
分子名称: DPN-PHE-ARM, GLYCEROL, Prostasin heavy chain, ...
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-07-31
公開日2009-06-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
4GJA
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BU of 4gja by Molmil
Crystal structure of renin in complex with NVP-AYL747 (compound 5)
分子名称: (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2012-08-09
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
4GJC
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BU of 4gjc by Molmil
Crystal structure of renin in complex with NVP-BCH965 (compound 9)
分子名称: (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2012-08-09
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
4K9H
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BU of 4k9h by Molmil
Bace-1 inhibitor complex
分子名称: 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}butan-2-yl]-6-oxo-5-(2-oxopyrrolidin-1-yl)-1,6-dihydropyridine-3-carboxamide, Beta-secretase 1
著者Jordan, S.R.
登録日2013-04-19
公開日2013-07-10
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GJX
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BU of 4gjx by Molmil
Crystal structure of CD23 lectin domain mutant D258A
分子名称: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor
著者Yuan, D, Sutton, B.J, Dhaliwal, B.
登録日2012-08-10
公開日2013-06-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
4K9W
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BU of 4k9w by Molmil
Complex of human CYP3A4 with a desoxyritonavir analog
分子名称: Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.F, Poulos, T.L.
登録日2013-04-21
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
4KB5
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BU of 4kb5 by Molmil
Crystal structure of MycP1 from Mycobacterium smegmatis
分子名称: GLYCEROL, Membrane-anchored mycosin mycp1
著者Sun, D.M, He, Y, Tian, C.L.
登録日2013-04-23
公開日2014-02-05
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The putative propeptide of MycP1 in mycobacterial type VII secretion system does not inhibit protease activity but improves protein stability.
Protein Cell, 4, 2013
3DK1
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BU of 3dk1 by Molmil
Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0105A
分子名称: (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ...
著者Wang, Y.F, Weber, I.T.
登録日2008-06-24
公開日2009-05-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies
Org.Biomol.Chem., 6, 2008
4KND
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BU of 4knd by Molmil
Thioredoxin from Anaeromyxobacter dehalogenans.
分子名称: Thioredoxin
著者Osipiuk, J, Hatzos-Skintges, C, Clancy, S, Adkins, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP)
登録日2013-05-09
公開日2013-05-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Thioredoxin from Anaeromyxobacter dehalogenans.
To be Published
4GI3
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BU of 4gi3 by Molmil
Crystal structure of Greglin in complex with subtilisin
分子名称: Greglin, KerA
著者Kellenberger, C, Roussel, A.
登録日2012-08-08
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of greglin, a novel non-classical Kazal inhibitor, in complex with subtilisin
Febs J., 279, 2012
3DLW
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BU of 3dlw by Molmil
Antichymotrypsin
分子名称: Alpha-1-antichymotrypsin
著者Feil, S.C.
登録日2008-06-29
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification and characterization of a misfolded monomeric serpin formed at physiological temperature
J.Mol.Biol., 403, 2010
4GJ9
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BU of 4gj9 by Molmil
Crystal structure of renin in complex with GP055321 (compound 4)
分子名称: (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2012-08-09
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
3DSJ
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BU of 3dsj by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase Variant (F137L) (At-AOS(F137L), cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOD at 1.60 A Resolution
分子名称: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, Cytochrome P450 74A, chloroplast, ...
著者Lee, D.S, Nioche, P, Raman, C.S.
登録日2008-07-12
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008

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