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2MGO
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BU of 2mgo by Molmil
NMR solution structure of oxytocin
分子名称: Oxytocin
著者Harvey, P.J, Craik, D.J.
登録日2013-11-01
公開日2014-10-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Oxytocic plant cyclotides as templates for peptide G protein-coupled receptor ligand design.
Proc.Natl.Acad.Sci.USA, 110, 2013
2M9O
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BU of 2m9o by Molmil
Solution structure of kalata B7
分子名称: Kalata-B7
著者Daly, N, Elliott, A, Craik, D.
登録日2013-06-18
公開日2013-11-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Cyclotides as templates for peptide GPCR ligand design - discovery of the target receptor of the oxytocic plant peptide kalata B7
Proc.Natl.Acad.Sci.USA, 2013
7MSA
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BU of 7msa by Molmil
GDC-9545 in complex with estrogen receptor alpha
分子名称: (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, Estrogen receptor
著者Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F.
登録日2021-05-10
公開日2021-06-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer.
J.Med.Chem., 64, 2021
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
分子名称: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
著者Li, D, Wang, W.
登録日2016-06-17
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016
2KMJ
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BU of 2kmj by Molmil
High resolution NMR solution structure of a complex of HIV-2 TAR RNA and a synthetic tripeptide in a 1:2 stoichiometry
分子名称: Pyrimidinylpeptide, RNA (28-MER)
著者Ferner, J, Suhartono, M, Breitung, S, Jonker, H.R.A, Hennig, M, Woehnert, J, Goebel, M, Schwalbe, H.
登録日2009-07-30
公開日2009-08-18
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structures of HIV TAR RNA-ligand complexes reveal higher binding stoichiometries.
Chembiochem, 10, 2009
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
著者Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
登録日2018-09-22
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
6EWU
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BU of 6ewu by Molmil
Solution Structure of Rhabdopeptide NRPS Docking Domain Kj12C-NDD
分子名称: NRPS Kj12C-NDD
著者Hacker, C, Cai, X, Kegler, C, Zhao, L, Weickhmann, A.K, Bode, H.B, Woehnert, J.
登録日2017-11-06
公開日2018-10-31
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure-based redesign of docking domain interactions modulates the product spectrum of a rhabdopeptide-synthesizing NRPS.
Nat Commun, 9, 2018
5AP8
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BU of 5ap8 by Molmil
Structure of the SAM-dependent rRNA:acp-transferase Tsr3 from S. solfataricus
分子名称: TSR3
著者Wurm, J.P, Immer, C, Pogoryelov, D, Meyer, B, Koetter, P, Entian, K.-D, Woehnert, J.
登録日2015-09-14
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Ribosome Biogenesis Factor Tsr3 is the Aminocarboxypropyl Transferase Responsible for 18S Rrna Hypermodification in Yeast and Humans
Nucleic Acids Res., 44, 2016
6EWT
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BU of 6ewt by Molmil
Solution Structure of Rhabdopeptide NRPS Docking Domain Kj12B-NDD
分子名称: NRPS Kj12B-NDD
著者Hacker, C, Cai, X, Kegler, C, Zhao, L, Weickhmann, A.K, Bode, H.B, Woehnert, J.
登録日2017-11-06
公開日2018-10-31
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure-based redesign of docking domain interactions modulates the product spectrum of a rhabdopeptide-synthesizing NRPS.
Nat Commun, 9, 2018
6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6WEC
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BU of 6wec by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
1HMD
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BU of 1hmd by Molmil
THE STRUCTURE OF DEOXY AND OXY HEMERYTHRIN AT 2.0 ANGSTROMS RESOLUTION
分子名称: ACETYL GROUP, HEMERYTHRIN, MU-OXO-DIIRON
著者Holmes, M.A, Letrong, I, Turley, S, Sieker, L.C, Stenkamp, R.E.
登録日1990-10-18
公開日1992-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of deoxy and oxy hemerythrin at 2.0 A resolution.
J.Mol.Biol., 218, 1991
1HMO
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BU of 1hmo by Molmil
THE STRUCTURE OF DEOXY AND OXY HEMERYTHRIN AT 2.0 ANGSTROMS RESOLUTION
分子名称: ACETYL GROUP, HEMERYTHRIN, MU-OXO-DIIRON, ...
著者Holmes, M.A, Letrong, I, Turley, S, Sieker, L.C, Stenkamp, R.E.
登録日1990-10-18
公開日1992-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of deoxy and oxy hemerythrin at 2.0 A resolution.
J.Mol.Biol., 218, 1991
2OXI
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BU of 2oxi by Molmil
REFINED CRYSTAL STRUCTURE OF CU-SUBSTITUTED ALCOHOL DEHYDROGENASE AT 2.1 ANGSTROMS RESOLUTION
分子名称: ALCOHOL DEHYDROGENASE, COPPER (II) ION, DIMETHYL SULFOXIDE, ...
著者Al-Karadaghi, S, Cedergren-Zeppezauer, E.S.
登録日1993-11-08
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refined structure of Cu-substituted alcohol dehydrogenase at 2.1 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
2HMQ
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BU of 2hmq by Molmil
THE STRUCTURES OF MET AND AZIDOMET HEMERYTHRIN AT 1.66 ANGSTROMS RESOLUTION
分子名称: ACETATE ION, HEMERYTHRIN, MU-OXO-DIIRON
著者Holmes, M.A, Stenkamp, R.E.
登録日1990-10-18
公開日1992-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structures of met and azidomet hemerythrin at 1.66 A resolution.
J.Mol.Biol., 220, 1991
2HMZ
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BU of 2hmz by Molmil
THE STRUCTURES OF MET AND AZIDOMET HEMERYTHRIN AT 1.66 ANGSTROMS RESOLUTION
分子名称: ACETATE ION, HEMERYTHRIN, MONOAZIDO-MU-OXO-DIIRON
著者Holmes, M.A, Stenkamp, R.E.
登録日1990-10-18
公開日1992-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structures of met and azidomet hemerythrin at 1.66 A resolution.
J.Mol.Biol., 220, 1991
1I4Z
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BU of 1i4z by Molmil
THE CRYSTAL STRUCTURE OF PHASCOLOPSIS GOULDII L98Y METHEMERYTHRIN
分子名称: METHEMERYTHRIN, MU-OXO-DIIRON
著者Farmer, C.S, Kurtz Jr, D.M, Liu, Z.-J, Wang, B.C, Rose, J.
登録日2001-02-23
公開日2001-03-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structures of Phascolopsis gouldii wild type and L98Y methemerythrins: structural and functional alterations of the O2 binding pocket.
J.Biol.Inorg.Chem., 6, 2001
1I4Y
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BU of 1i4y by Molmil
THE CRYSTAL STRUCTURE OF PHASCOLOPSIS GOULDII WILD TYPE METHEMERYTHRIN
分子名称: CHLORIDE ION, METHEMERYTHRIN, MU-OXO-DIIRON
著者Farmer, C.S, Kurtz Jr, D.M, Liu, Z.-J, Wang, B.C, Rose, J.
登録日2001-02-23
公開日2001-03-21
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structures of Phascolopsis gouldii wild type and L98Y methemerythrins: structural and functional alterations of the O2 binding pocket.
J.Biol.Inorg.Chem., 6, 2001
3ELM
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BU of 3elm by Molmil
Crystal Structure of MMP-13 Complexed with Inhibitor 24f
分子名称: (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ...
著者Kulathila, R, Monovich, L, Koehn, J.
登録日2008-09-22
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009
7RU4
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BU of 7ru4 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
分子名称: 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, CC6.33 IgG heavy chain Fv, ...
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU1
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BU of 7ru1 by Molmil
SARS-CoV-2-6P-Mut7 S protein (C3 symmetry)
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, Spike glycoprotein
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU8
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CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
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, CC6.30 Fab Kappa chain Fv, ...
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU3
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BU of 7ru3 by Molmil
CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU2
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SARS-CoV-2-6P-Mut7 S protein (asymmetric)
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, Spike glycoprotein
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
7RU5
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BU of 7ru5 by Molmil
CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement)
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, CC6.30 Fab heavy chain Fv, ...
著者Ozorowski, G, Turner, H.L, Ward, A.B.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022

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