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4EX7
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BU of 4ex7 by Molmil
Crystal structure of the alnumycin P phosphatase in complex with free phosphate
分子名称: AlnB, BORIC ACID, MAGNESIUM ION, ...
著者Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M.
登録日2012-04-30
公開日2013-01-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 110, 2013
4ENB
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BU of 4enb by Molmil
Crystal structure of fluoride riboswitch, bound to Iridium
分子名称: FLUORIDE ION, Fluoride riboswitch, IRIDIUM HEXAMMINE ION, ...
著者Ren, A.M, Rajashankar, K.R, Patel, D.J.
登録日2012-04-12
公開日2012-05-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
4GVA
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BU of 4gva by Molmil
ADP-bound form of the ERK2 kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Mitogen-activated protein kinase 1
著者Pozharski, E, Zhang, J, Shapiro, P.
登録日2012-08-30
公開日2012-09-12
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献ADP-bound form of the ERK2 kinase
TO BE PUBLISHED
4GUA
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BU of 4gua by Molmil
Alphavirus P23pro-zbd
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural polyprotein, SULFATE ION, ...
著者Shin, G, Yost, S, Miller, M, Marcotrigiano, J.
登録日2012-08-29
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.854 Å)
主引用文献Structural and functional insights into alphavirus polyprotein processing and pathogenesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
3OC0
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BU of 3oc0 by Molmil
Structure of human DPP-IV with HTS hit (2S,3S,11bS)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine
分子名称: (2S,3R,11bR)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4
著者Hennig, M, Stihle, M, Thoma, R.
登録日2010-08-09
公開日2010-08-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of carmegliptin: A potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
3NXN
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BU of 3nxn by Molmil
X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
分子名称: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer
著者Torbeev, V.Y, Kent, S.B.H.
登録日2010-07-14
公開日2011-11-02
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NYG
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BU of 3nyg by Molmil
X-ray structure of ester chemical analogue [O-Gly51,O-Gly51']HIV-1 protease complexed with MVT-101 inhibitor
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2010-07-15
公開日2011-11-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3OEC
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BU of 3oec by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium thermoresistibile
分子名称: Carveol dehydrogenase (MythA.01326.c, A0R518 homolog), SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-08-12
公開日2010-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3O96
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BU of 3o96 by Molmil
Crystal Structure of Human AKT1 with an Allosteric Inhibitor
分子名称: 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase
著者Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-08-03
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
3OAX
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Crystal structure of bovine rhodopsin with beta-ionone
分子名称: (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one, (4E,6E)-hexadeca-1,4,6-triene, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Makino, C.L, Riley, C.K, Looney, J, Crouch, R.K, Okada, T.
登録日2010-08-05
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding of more than one retinoid to visual opsins
Biophys.J., 99, 2010
4H3Q
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BU of 4h3q by Molmil
Crystal structure of human ERK2 complexed with a MAPK docking peptide
分子名称: Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Gogl, G, Toeroe, I, Remenyi, A.
登録日2012-09-14
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase
Acta Crystallogr.,Sect.D, 69, 2013
4GRX
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BU of 4grx by Molmil
Structure of an omega-aminotransferase from Paracoccus denitrificans
分子名称: Aminotransferase, DELTA-AMINO VALERIC ACID, SODIUM ION
著者Rausch, C, Lerchner, A, Schiefner, A, Skerra, A.
登録日2012-08-27
公開日2012-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the omega-aminotransferase from Paracoccus denitrificans and its phylogenetic relationship with other class III aminotransferases that have biotechnological potential.
Proteins, 81, 2013
4GT3
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BU of 4gt3 by Molmil
ATP-bound form of the ERK2 kinase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Pozharski, E, Zhang, J, Shapiro, P.
登録日2012-08-28
公開日2012-09-12
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献ATP-bound form of the ERK2 kinase
TO BE PUBLISHED
4GU4
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BU of 4gu4 by Molmil
Crystal structure of the T1L reovirus attachment protein sigma1 in complex with alpha-2,3-sialyllactose
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1
著者Reiss, K, Stehle, T.
登録日2012-08-29
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The GM2 Glycan Serves as a Functional Coreceptor for Serotype 1 Reovirus.
Plos Pathog., 8, 2012
4EY5
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BU of 4ey5 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine A
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3012 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EB6
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BU of 4eb6 by Molmil
Tubulin-Vinblastine: Stathmin-like complex
分子名称: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ranaivoson, F.M, Gigant, B, Knossow, M.
登録日2012-03-23
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Structural plasticity of tubulin assembly probed by vinca-domain ligands.
Acta Crystallogr.,Sect.D, 68, 2012
4EJN
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BU of 4ejn by Molmil
Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide
分子名称: 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ...
著者Eathiraj, S.
登録日2012-04-06
公開日2012-05-23
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
3P3O
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BU of 3p3o by Molmil
Crystal Structure of the Cytochrome P450 Monooxygenase AurH (ntermII) from Streptomyces Thioluteus
分子名称: CHLORIDE ION, Cytochrome P450, GLYCEROL, ...
著者Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C.
登録日2010-10-05
公開日2011-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase.
J.Am.Chem.Soc., 133, 2011
4H3I
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BU of 4h3i by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
分子名称: 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-13
公開日2012-11-07
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
3OQG
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BU of 3oqg by Molmil
Restriction endonuclease HPY188I in complex with substrate DNA
分子名称: CHLORIDE ION, DNA 5'-D(*GP*AP*TP*CP*TP*GP*AP*AP*C)-3', DNA 5'-D(*GP*TP*TP*CP*AP*GP*AP*TP*C)-3', ...
著者Sokolowska, M, Czapinska, H, Bochtler, M.
登録日2010-09-03
公開日2010-10-20
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Hpy188I-DNA pre- and post-cleavage complexes--snapshots of the GIY-YIG nuclease mediated catalysis.
Nucleic Acids Res., 39, 2011
3OT3
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BU of 3ot3 by Molmil
X-ray crystal structure of compound 22k bound to human Chk1 kinase domain
分子名称: 5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2010-09-10
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 2.
Bioorg.Med.Chem.Lett., 21, 2011
4HAF
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BU of 4haf by Molmil
Crystal structure of fc-fragment of human IgG2 antibody (primitive crystal form)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region
著者Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G.
登録日2012-09-26
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
3RPB
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BU of 3rpb by Molmil
THE C2B-DOMAIN OF RABPHILIN: STRUCTURAL VARIATIONS IN A JANUS-FACED DOMAIN
分子名称: RABPHILIN 3-A
著者Ubach, J, Garcia, J, Nittler, M.P, Sudhof, T.C, Rizo, J.
登録日1999-04-19
公開日1999-12-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the Janus-faced C2B domain of rabphilin.
Nat.Cell Biol., 1, 1999
4FFP
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BU of 4ffp by Molmil
PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine and D-ornithine)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~6~-D-ornithyl-L-lysine, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4F6R
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BU of 4f6r by Molmil
Tubulin:Stathmin-like domain complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Gigant, B, Mignot, I, Knossow, M.
登録日2012-05-15
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Design and characterization of modular scaffolds for tubulin assembly.
J.Biol.Chem., 287, 2012

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