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1WMD
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BU of 1wmd by Molmil
Crystal Structure of alkaline serine protease KP-43 from Bacillus sp. KSM-KP43 (1.30 angstrom, 100 K)
分子名称: 1,4-DIETHYLENE DIOXIDE, CALCIUM ION, GLYCEROL, ...
著者Nonaka, T, Fujihashi, M, Kita, A, Saeki, K, Ito, S, Horikoshi, K, Miki, K.
登録日2004-07-08
公開日2004-09-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Crystal Structure of an Oxidatively Stable Subtilisin-like Alkaline Serine Protease, KP-43, with a C-terminal {beta}-Barrel Domain
J.Biol.Chem., 279, 2004
3BRA
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BU of 3bra by Molmil
BACE-1 complexed with compound 1
分子名称: 4-(2-aminoethyl)phenol, Beta-secretase 1
著者Kuglstatter, A, Hennig, M.
登録日2007-12-21
公開日2008-03-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
3BKI
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BU of 3bki by Molmil
Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87 Angstroms
分子名称: Glutamate receptor 2, [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide
著者Cruz, L, Estebanez-Perpina, E, Pfaff, S, Borngraeber, S, Bao, N, Fletterick, R, England, P.
登録日2007-12-06
公開日2008-09-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor.
J.Med.Chem., 51, 2008
2P2H
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BU of 2p2h by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor
分子名称: 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2007-03-07
公開日2007-03-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
2B52
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Human cyclin dependent kinase 2 (CDK2) complexed with DPH-042562
分子名称: 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA, Cell division protein kinase 2
著者Muckelbauer, J.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. Part 4: Heterocycles at C3
Bioorg.Med.Chem.Lett., 14, 2004
1S9X
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BU of 1s9x by Molmil
Crystal Structure Analysis of NY-ESO-1 epitope analogue, SLLMWITQA, in complex with HLA-A2
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Webb, A.I, Dunstone, M.A, Chen, W, Aguilar, M.I, Chen, Q, Chang, L, Kjer-Nielsen, L, Beddoe, T, McCluskey, J, Rossjohn, J, Purcell, A.W.
登録日2004-02-05
公開日2004-09-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Functional and structural characteristics of NY-ESO-1-related HLA A2-restricted epitopes and the design of a novel immunogenic analogue
J.Biol.Chem., 279, 2004
1K3O
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BU of 1k3o by Molmil
Crystal Structure Analysis of apo Glutathione S-Transferase
分子名称: GLUTATHIONE S-TRANSFERASE A1
著者Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T.
登録日2001-10-03
公開日2002-10-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site.
Proteins, 48, 2002
1RZL
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BU of 1rzl by Molmil
RICE NONSPECIFIC LIPID TRANSFER PROTEIN
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, NONSPECIFIC LIPID TRANSFER PROTEIN, SULFATE ION
著者Lee, J.Y, Min, K.S, Cha, H, Shin, D.H, Hwang, K.Y, Suh, S.W.
登録日1997-10-09
公開日1998-12-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rice non-specific lipid transfer protein: the 1.6 A crystal structure in the unliganded state reveals a small hydrophobic cavity.
J.Mol.Biol., 276, 1998
2R3W
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BU of 2r3w by Molmil
I84V HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), Protease
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-08-30
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
2BIS
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BU of 2bis by Molmil
Structure of glycogen synthase from Pyrococcus abyssi
分子名称: 1,4-DIETHYLENE DIOXIDE, GLGA GLYCOGEN SYNTHASE, GLYCEROL, ...
著者Horcajada, C, Guinovart, J.J, Fita, I, Ferrer, J.C.
登録日2005-01-25
公開日2005-11-28
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of an Archaeal Glycogen Synthase: Insights Into Oligomerisation and Substrate Binding of Eukaryotic Glycogen Synthases.
J.Biol.Chem., 281, 2006
2GCU
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BU of 2gcu by Molmil
X-Ray Structure of Gene Product from Arabidopsis Thaliana At1g53580
分子名称: 1,2-ETHANEDIOL, FE (II) ION, Putative hydroxyacylglutathione hydrolase 3, ...
著者McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-03-14
公開日2006-04-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.477 Å)
主引用文献Structure of an ETHE1-like protein from Arabidopsis thaliana.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
7EDJ
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BU of 7edj by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2 (ACE2) ectodomain, ...
著者Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
登録日2021-03-16
公開日2021-09-01
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
1PF7
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BU of 1pf7 by Molmil
CRYSTAL STRUCTURE OF HUMAN PNP COMPLEXED WITH IMMUCILLIN H
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
著者De Azevedo Jr, W.F, Canduri, F, Dos Santos, D.M, Pereira, J.H, Dias, M.V.B, Silva, R.G, Mendes, M.A, Palma, M.S, Basso, L.A, Santos, D.S.
登録日2003-05-24
公開日2004-06-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for inhibition of human PNP by immucillin-H
Biochem.Biophys.Res.Commun., 309, 2003
3TTO
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BU of 3tto by Molmil
Crystal structure of Leuconostoc mesenteroides NRRL B-1299 N-terminally truncated dextransucrase DSR-E in triclinic form
分子名称: CALCIUM ION, Dextransucrase, GLYCEROL
著者Brison, Y, Pijning, T, Fabre, E, Mourey, L, Morel, S, Potocki-Veronese, G, Monsan, P, Tranier, S, Remaud-Simeon, M, Dijkstra, B.W.
登録日2011-09-15
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Functional and structural characterization of alpha-(1-2) branching sucrase derived from DSR-E glucansucrase
J.Biol.Chem., 287, 2012
3KQ7
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BU of 3kq7 by Molmil
Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
分子名称: ACETATE ION, Mitogen-activated protein kinase p38 alpha, N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
著者Cheng, R.K.Y, Barker, J, Whittaker, M.
登録日2009-11-17
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
TO BE PUBLISHED
3CKK
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BU of 3ckk by Molmil
Crystal structure of human methyltransferase-like protein 1
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, tRNA (guanine-N(7)-)-methyltransferase
著者Dong, A, Zeng, H, Dobrovetsky, E, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Wu, H, Structural Genomics Consortium (SGC)
登録日2008-03-16
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of human methyltransferase-like protein 1.
To be Published
1WZZ
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BU of 1wzz by Molmil
Structure of endo-beta-1,4-glucanase CMCax from Acetobacter xylinum
分子名称: Probable endoglucanase, SULFATE ION
著者Yasutake, Y, Kawano, S, Tajima, K, Yao, M, Satoh, Y, Munekata, M, Tanaka, I, Structural Genomics Consortium (SGC)
登録日2005-03-10
公開日2006-03-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural characterization of the Acetobacter xylinum endo-beta-1,4-glucanase CMCax required for cellulose biosynthesis.
Proteins, 64, 2006
2ME3
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BU of 2me3 by Molmil
HIV-1 gp41 clade C Membrane Proximal External Region peptide in DPC micelle
分子名称: Envelope glycoprotein gp160
著者Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W.
登録日2013-09-20
公開日2013-10-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41.
J.Mol.Biol., 426, 2014
3KNG
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BU of 3kng by Molmil
Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, determined to 1.9 resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G.
登録日2009-11-12
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism
Biochemistry, 49, 2010
1BWI
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THE 1.8 A STRUCTURE OF MICROBATCH OIL DROP GROWN TETRAGONAL HEN EGG WHITE LYSOZYME
分子名称: PROTEIN (LYSOZYME)
著者Dong, J, Boggon, T.J, Chayen, N.E, Raftery, J, Bi, R.C.
登録日1998-09-24
公開日1998-09-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bound-solvent structures for microgravity-, ground control-, gel- and microbatch-grown hen egg-white lysozyme crystals at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
6K0U
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BU of 6k0u by Molmil
Catalytic domain of GH87 alpha-1,3-glucanase D1068A in complex with tetrasaccharides
分子名称: Alpha-1,3-glucanase, CALCIUM ION, SULFATE ION, ...
著者Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T.
登録日2019-05-07
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11.
Febs J., 287, 2020
4HVB
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BU of 4hvb by Molmil
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
分子名称: 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Knighton, D.R, Cheng, H.
登録日2012-11-05
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4B42
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Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
著者Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
登録日2012-07-27
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.505 Å)
主引用文献Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4BKC
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Crystal Structure of a unusually linked dimeric variant of Bet v 1
分子名称: MAJOR POLLEN ALLERGEN BET V 1-A
著者Kofler, S.G, Brandstetter, H.
登録日2013-04-23
公開日2013-11-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Stabilization of the Dimeric Birch Pollen Allergen Bet V 1 Impacts its Immunological Properties
J.Biol.Chem., 289, 2014
1TW7
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Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target
分子名称: SODIUM ION, protease
著者Martin, P, Vickrey, J.F, Proteasa, G, Jimenez, Y.L, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C.
登録日2004-06-30
公開日2005-07-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target
Structure, 13, 2005

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