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6FMA
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BU of 6fma by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: 3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Labesse, G.
登録日2018-01-30
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.667 Å)
主引用文献None
To be published
3UW5
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BU of 3uw5 by Molmil
Crystal structure of the BIR domain of MLIAP bound to GDC0152
分子名称: Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ...
著者Maurer, B, Hymowitz, S.G.
登録日2011-11-30
公開日2012-02-22
最終更新日2017-08-02
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
6GR0
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BU of 6gr0 by Molmil
Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin
分子名称: 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid, GALLIUM (III) ION, Neutrophil gelatinase-associated lipocalin
著者Skerra, A, Eichinger, A.
登録日2018-06-08
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
5WRG
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BU of 5wrg by Molmil
SARS-CoV spike glycoprotein
分子名称: Spike glycoprotein
著者Gui, M, Song, W, Xiang, Y, Wang, X.
登録日2016-12-01
公開日2017-01-11
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-electron microscopy structures of the SARS-CoV spike glycoprotein reveal a prerequisite conformational state for receptor binding.
Cell Res., 27, 2017
5E1E
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BU of 5e1e by Molmil
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
分子名称: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1
著者Ferguson, A.D.
登録日2015-09-29
公開日2015-11-25
最終更新日2015-12-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
1QD7
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BU of 1qd7 by Molmil
PARTIAL MODEL FOR 30S RIBOSOMAL SUBUNIT
分子名称: CENTRAL FRAGMENT OF 16 S RNA, END FRAGMENT OF 16 S RNA, S15 RIBOSOMAL PROTEIN, ...
著者Clemons Jr, W.M, May, J.L.C, Wimberly, B.T, McCutcheon, J.P, Capel, M.S, Ramakrishnan, V.
登録日1999-07-09
公開日1999-08-31
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (5.5 Å)
主引用文献Structure of a bacterial 30S ribosomal subunit at 5.5 A resolution.
Nature, 400, 1999
6FI3
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BU of 6fi3 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(azanyloxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Labesse, G.
登録日2018-01-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure of ERK2 in complex with an adenosine derivative
To be published
6FJZ
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BU of 6fjz by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Gelin, M, Labesse, G.
登録日2018-01-23
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Crystal structure of ERK2 in complex with an adenosine derivative
To be published
6FI6
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BU of 6fi6 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者Gelin, M, Labesse, G.
登録日2018-01-17
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of ERK2 in complex with an adenosine derivative
To be published
6FXV
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BU of 6fxv by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-03-09
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献None
To be published
7ES4
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BU of 7es4 by Molmil
the crystral structure of DndH-C-domain
分子名称: DNA phosphorothioation-dependent restriction protein DptH
著者Wu, D.
登録日2021-05-08
公開日2022-05-11
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
6GAT
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BU of 6gat by Molmil
SOLUTION NMR STRUCTURE OF THE L22V MUTANT DNA BINDING DOMAIN OF AREA COMPLEXED TO A 13 BP DNA CONTAINING A TGATA SITE, REGULARIZED MEAN STRUCTURE
分子名称: DNA (5'-D(*CP*AP*GP*TP*GP*AP*TP*AP*GP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*CP*TP*AP*TP*CP*AP*CP*TP*G)-3'), NITROGEN REGULATORY PROTEIN AREA, ...
著者Clore, G.M, Starich, M, Wikstrom, M, Gronenborn, A.M.
登録日1997-11-07
公開日1998-01-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the Leu22-->Val mutant AREA DNA binding domain complexed with a TGATAG core element defines a role for hydrophobic packing in the determination of specificity.
J.Mol.Biol., 277, 1998
2ZBK
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BU of 2zbk by Molmil
Crystal structure of an intact type II DNA topoisomerase: insights into DNA transfer mechanisms
分子名称: RADICICOL, Type 2 DNA topoisomerase 6 subunit B, Type II DNA topoisomerase VI subunit A
著者Graille, M, Cladiere, L, Durand, D, Lecointe, F, Forterre, P, van Tilbeurgh, H, Paris-Sud Yeast Structural Genomics (YSG)
登録日2007-10-22
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.56 Å)
主引用文献Crystal Structure of an Intact Type II DNA Topoisomerase: Insights into DNA Transfer Mechanisms
Structure, 16, 2008
7EXX
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BU of 7exx by Molmil
The structure of DndG
分子名称: DNA phosphorothioation-dependent restriction protein DptG, SODIUM ION
著者Wu, D, Wang, L.
登録日2021-05-28
公開日2022-06-01
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
4P5D
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BU of 4p5d by Molmil
CRYSTAL STRUCTURE OF RAT DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE
分子名称: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, 6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine, SULFATE ION
著者Padilla, A, Labesse, G, Kaminski, P.A.
登録日2014-03-16
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献6-(Hetero)Arylpurine nucleotides as inhibitors of the oncogenic target DNPH1: Synthesis, structural studies and cytotoxic activities.
Eur.J.Med.Chem., 85C, 2014
1NLX
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BU of 1nlx by Molmil
Crystal Structure of PHL P 6, A Major Timothy Grass Pollen Allergen Co-Crystallized with Zinc
分子名称: ARSENIC, Pollen allergen Phl p 6, ZINC ION
著者Fedorov, A.A, Ball, T, Fedorov, E.V, Vrtala, S, Valenta, R, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2003-01-07
公開日2003-01-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure oh Phl p 6, a major timothy grass pollen allergen co-crystallized with Zinc
To be Published
2FEA
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BU of 2fea by Molmil
Crystal structure of MtnX phosphatase from Bacillus Subtilis at 2.00 A resolution
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate phosphatase, MAGNESIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2005-12-15
公開日2005-12-27
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of MtnX phosphatase from Bacillus subtilis at 2.0 A resolution provides a structural basis for bipartite phosphomonoester hydrolysis of 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate.
Proteins, 69, 2007
4YXS
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BU of 4yxs by Molmil
CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
分子名称: N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Schiffer, A, Wendt, K.U.
登録日2015-03-23
公開日2015-05-20
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4Z3L
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BU of 4z3l by Molmil
CRYSTAL STRUCTURE OF BIRCH POLLEN ALLERGEN BET V 1 MUTANT G26L, D69I, P90L, K97I
分子名称: Major pollen allergen Bet v 1-A, SULFATE ION
著者Freier, R, Brandstetter, H.
登録日2015-03-31
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fold stability during endolysosomal acidification is a key factor for allergenicity and immunogenicity of the major birch pollen allergen.
J.Allergy Clin.Immunol., 137, 2016
4YXR
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BU of 4yxr by Molmil
CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor.
分子名称: 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Schiffer, A, Wendt, K.U.
登録日2015-03-23
公開日2015-05-27
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
6ORT
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BU of 6ort by Molmil
Crystal Structure of Bos taurus Mxra8 Ectodomain
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Matrix remodeling-associated protein 8
著者Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-04-30
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Evolutionary Insertion in the Mxra8 Receptor-Binding Site Confers Resistance to Alphavirus Infection and Pathogenesis.
Cell Host Microbe, 27, 2020
5ZV3
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BU of 5zv3 by Molmil
Crystal structure of human anti-tau antibody CBTAU-28.1 in complex with its tau peptide
分子名称: Heavy chain of antibody CBTAU28.1, Light chain (kappa) of antibody CBTAU28.1, Peptide from Microtubule-associated protein tau
著者Zhang, H, Wilson, I.A.
登録日2018-05-09
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
7C6Q
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BU of 7c6q by Molmil
Novel natural PPARalpha agonist with a unique binding mode
分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha
著者Tian, S.Y, Wang, R, Zheng, W.L, Li, Y.
登録日2020-05-22
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition.
Molecules, 26, 2021
2ZEX
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BU of 2zex by Molmil
Family 16 carbohydrate binding module
分子名称: CALCIUM ION, S-layer associated multidomain endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Bae, B, Nair, S.K.
登録日2007-12-18
公開日2008-03-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA
J.Biol.Chem., 283, 2008
4GMQ
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BU of 4gmq by Molmil
Ribosome-binding domain of Zuo1
分子名称: Putative ribosome associated protein
著者Kopp, J, Bange, G, Sinning, I.
登録日2012-08-16
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural characterization of a eukaryotic chaperone-the ribosome-associated complex.
Nat.Struct.Mol.Biol., 20, 2013

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