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1AZS
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COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GS-ALPHA, IIC2, ...
著者Tesmer, J.J.G, Sprang, S.R.
登録日1997-11-20
公開日1998-02-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the catalytic domains of adenylyl cyclase in a complex with Gsalpha.GTPgammaS.
Science, 278, 1997
5O2T
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BU of 5o2t by Molmil
Human KRAS in complex with darpin K27
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ...
著者Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
登録日2017-05-22
公開日2017-07-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange.
Nat Commun, 8, 2017
2BTR
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STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873
分子名称: CELL DIVISION PROTEIN KINASE 2, N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE
著者Vulpetti, A, Casale, E, Roletto, F, Amici, R, Villa, M, Pevarello, P.
登録日2005-06-06
公開日2005-11-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors.
J.Mol.Graph.Model., 24, 2006
7B1P
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BU of 7b1p by Molmil
Crystal Structure of Human BACE-1 in Complex with Compound 38a (NB-854)
分子名称: Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
著者Rondeau, J.M, Wirth, E.
登録日2020-11-25
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
7B1Q
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Crystal Structure of Human BACE-1 in Complex with Compound NB-360 (compound 54)
分子名称: Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
著者Rondeau, J.M, Wirth, E.
登録日2020-11-25
公開日2021-04-28
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
7B1E
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BACE1 IN COMPLEX WITH compound 3 (NB-641)
分子名称: Beta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
著者Rondeau, J.M, Wirth, E.
登録日2020-11-24
公開日2021-04-28
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
1W6J
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Structure of human OSC in complex with Ro 48-8071
分子名称: LANOSTEROL SYNTHASE, TETRADECANE, [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE, ...
著者Thoma, R, Schulz-Gasch, T, D'Arcy, B, Benz, J, Aebi, J, Dehmlow, H, Hennig, M, Ruf, A.
登録日2004-08-18
公開日2004-10-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insight Into Steroid Scaffold Formation from the Structure of Human Oxidosqualene Cyclase
Nature, 432, 2004
1W6K
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Structure of human OSC in complex with Lanosterol
分子名称: LANOSTEROL, LANOSTEROL SYNTHASE, octyl beta-D-glucopyranoside
著者Thoma, R, Schulz-Gasch, T, D'Arcy, B, Benz, J, Aebi, J, Dehmlow, H, Hennig, M, Ruf, A.
登録日2004-08-19
公開日2004-10-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insight Into Steroid Scaffold Formation from the Structure of Human Oxidosqualene Cyclase
Nature, 432, 2004
2AIX
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BU of 2aix by Molmil
X-ray structure of the GLUR2 ligand-binding core (S1S2J) in complex with (s)-thio-atpa at 2.2 a resolution.
分子名称: (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID, Glutamate receptor 2
著者Kastrup, J.S.
登録日2005-08-01
公開日2005-08-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Distinct kinetics of ionotropic glutamate receptor 2 splice variants characterized by fast agonist application and crystallization of a receptor-ligand complex.
To be Published
2N3P
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BU of 2n3p by Molmil
SOLUTION NMR STRUCTURE of ASTEROPSIN G from MARINE SPONGE ASTEROPUS
分子名称: Asteropsin_G
著者Su, M, Jung, J.H.
登録日2015-06-09
公開日2016-06-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Stable and non-cytotoxic cystine knot peptides from a marine sponge asteropus
To be Published
2N2G
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SOLUTION NMR STRUCTURE of ASTEROPSIN F FROM MARINE SPONGE ASTEROPUS
分子名称: Asteropsin_F
著者Su, M, Jung, J.H.
登録日2015-05-07
公開日2016-06-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Stable and non-cytotoxic cystine knot peptides from a marine sponge
To be Published
1CHV
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BU of 1chv by Molmil
ELUCIDATION OF THE SOLUTION STRUCTURE OF CARDIOTOXIN ANALOGUE V FROM THE TAIWAN COBRA (NAJA NAJA ATRA) VENOM
分子名称: PROTEIN (CARDIOTOXIN ANALOGUE V)
著者Jayaraman, G, Kumar, T.K.S, Tsai, C.C, Yu, C.
登録日1999-03-30
公開日2000-03-30
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Elucidation of the solution structure of cardiotoxin analogue V from the Taiwan cobra (Naja naja atra)--identification of structural features important for the lethal action of snake venom cardiotoxins
Protein Sci., 9, 2000
2PYY
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BU of 2pyy by Molmil
Crystal Structure of the GluR0 ligand-binding core from Nostoc punctiforme in complex with (L)-glutamate
分子名称: GLUTAMIC ACID, Ionotropic glutamate receptor bacterial homologue
著者Lee, J.H, Kang, G.B, Lim, H.-H, Ree, M, Park, C.-S, Eom, S.H.
登録日2007-05-17
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the GluR0 ligand-binding core from Nostoc punctiforme in complex with L-glutamate: structural dissection of the ligand interaction and subunit interface.
J.Mol.Biol., 376, 2008
2M6X
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BU of 2m6x by Molmil
Structure of the p7 channel of Hepatitis C virus, genotype 5a
分子名称: p7
著者OuYang, B, Chou, J.J.
登録日2013-04-12
公開日2013-06-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Unusual architecture of the p7 channel from hepatitis C virus
Nature, 498, 2013
3EJF
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BU of 3ejf by Molmil
Crystal structure of IBV X-domain at pH 8.5
分子名称: Non-structural protein 3
著者Piotrowski, Y, Hansen, G, Hilgenfeld, R.
登録日2008-09-18
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
4P6A
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BU of 4p6a by Molmil
Crystal structure of a potent anti-HIV lectin actinohivin in complex with alpha-1,2-mannotriose
分子名称: Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
著者Zhang, F, Hoque, M.M, Suzuki, K, Tsunoda, M, Naomi, O, Tanaka, H, Takenaka, A.
登録日2014-03-23
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献The characteristic structure of anti-HIV actinohivin in complex with three HMTG D1 chains of HIV-gp120.
Chembiochem, 15, 2014
3EKE
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BU of 3eke by Molmil
Crystal structure of IBV X-domain at pH 5.6
分子名称: L(+)-TARTARIC ACID, Non-structural protein 3
著者Piotrowski, Y, Hansen, G, Hilgenfeld, R.
登録日2008-09-19
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
5I2K
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BU of 5i2k by Molmil
Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19)
分子名称: 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-02-09
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
3EJG
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Crystal structure of HCoV-229E X-domain
分子名称: Non-structural protein 3
著者Piotrowski, Y, Hansen, G, Hilgenfeld, R.
登録日2008-09-18
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
3CTK
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BU of 3ctk by Molmil
Crystal structure of the type 1 RIP bouganin
分子名称: rRNA N-glycosidase
著者Fermani, S, Tosi, G, Falini, G, Ripamonti, A, Farini, V, Bolognesi, A, Polito, L.
登録日2008-04-14
公開日2008-05-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure/function studies on two type 1 ribosome inactivating proteins: Bouganin and lychnin.
J.Struct.Biol., 168, 2009
4W1V
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Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor
分子名称: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ...
著者Finzel, B.C, Dai, R.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
6PGZ
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BU of 6pgz by Molmil
MTSL labelled T4 lysozyme pseudo-wild type V75C mutant
分子名称: CHLORIDE ION, Endolysin, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Cuneo, M.J, Myles, D.A, Li, L.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Making hydrogens stand out: Enhanced neutron diffraction from biological crystals using dynamic nuclear polarization
To be published
2D43
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BU of 2d43 by Molmil
Crystal structure of arabinofuranosidase complexed with arabinotriose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose, alpha-L-arabinofuranosidase B
著者Miyanaga, A, Koseki, T, Miwa, Y, Matsuzawa, H, Wakagi, T, Shoun, H, Fushinobu, S.
登録日2005-10-07
公開日2006-09-19
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The family 42 carbohydrate-binding module of family 54 alpha-L-arabinofuranosidase specifically binds the arabinofuranose side chain of hemicellulose
Biochem.J., 399, 2006
4W1X
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Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone
分子名称: 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Dai, R.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
1U65
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Ache W. CPT-11
分子名称: (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Harel, M, Hyatt, J.L, Brumshtein, B, Morton, C.L, Wadkins, R.W, Silman, I, Sussman, J.L, Potter, P.M, Israel Structural Proteomics Center (ISPC)
登録日2004-07-29
公開日2005-07-19
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献The crystal structure of the complex of the anticancer prodrug 7-ethyl-10-[4-(1-piperidino)-1-piperidino]-carbonyloxycamptothecin (CPT-11) with Torpedo californica acetylcholinesterase provides a molecular explanation for its cholinergic action
Mol.Pharmacol., 67, 2005

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