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7U97
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BU of 7u97 by Molmil
SAAV pH 4.0 capsid structure
分子名称: Capsid protein
著者Mietzsch, M, McKenna, R.
登録日2022-03-10
公開日2022-04-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
7U95
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SAAV pH 6.0 capsid structure
分子名称: Capsid protein
著者Mietzsch, M, McKenna, R.
登録日2022-03-10
公開日2022-04-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
7U96
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BU of 7u96 by Molmil
SAAV pH 5.5 capsid structure
分子名称: Capsid protein
著者Mietzsch, M, McKenna, R.
登録日2022-03-10
公開日2022-04-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.14 Å)
主引用文献Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
7U94
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BU of 7u94 by Molmil
SAAV pH 7.4 capsid structure
分子名称: Capsid protein
著者Mietzsch, M, McKenna, R.
登録日2022-03-10
公開日2022-04-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
5IAS
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BU of 5ias by Molmil
Caspase 3 V266Y
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
4CSW
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BU of 4csw by Molmil
Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase
分子名称: CITRIC ACID, CUPIN 4 FAMILY PROTEIN, GLYCEROL, ...
著者McDonough, M.A, Sekirnik, R, Schofield, C.J.
登録日2014-03-11
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
5K0I
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BU of 5k0i by Molmil
mpges1 bound to an inhibitor
分子名称: 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol, GLUTATHIONE, Prostaglandin E synthase, ...
著者Luz, J.G, Kuklish, S.L.
登録日2016-05-17
公開日2016-09-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5HOI
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BU of 5hoi by Molmil
Crystal structure of the carboxy-terminal domain of yeast Ctf4 bound to Tof2.
分子名称: DNA polymerase alpha-binding protein, Topoisomerase 1-associated factor 2
著者Simon, A.C, Pellegrini, L.
登録日2016-01-19
公開日2016-06-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Ctf4 Is a Hub in the Eukaryotic Replisome that Links Multiple CIP-Box Proteins to the CMG Helicase.
Mol.Cell, 63, 2016
3EAX
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BU of 3eax by Molmil
Crystal structure PTP1B complex with small molecule compound LZP-6
分子名称: 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}, Tyrosine-protein phosphatase non-receptor type 1
著者Zhang, Z.-Y, Liu, S, Zhang, L.-F, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q.
登録日2008-08-26
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008
5IAK
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BU of 5iak by Molmil
Caspase 3 V266S
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5INH
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BU of 5inh by Molmil
Crystal structure of Autotaxin/ENPP2 with a covalent fragment
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, ACETATE ION, ...
著者Klein, M.G, Tjhen, R.
登録日2016-03-07
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
J. Med. Chem., 60, 2017
3EB1
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BU of 3eb1 by Molmil
Crystal structure PTP1B complex with small molecule inhibitor LZP-25
分子名称: 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid, Tyrosine-protein phosphatase non-receptor type 1
著者Liu, S, Zheng, L.-F, Wu, L, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q, Zhang, Z.-Y.
登録日2008-08-26
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008
6EIH
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BU of 6eih by Molmil
The crystal structure of 14-3-3 epsilon in complex with the phosphorylated NELFE peptide
分子名称: 14-3-3 protein epsilon, SER-ILE-SEP-ARG
著者Akutsu, M, Wagner, S.A, Beli, P.
登録日2017-09-19
公開日2018-02-14
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献p38-MK2 signaling axis regulates RNA metabolism after UV-light-induced DNA damage.
Nat Commun, 9, 2018
5IAE
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BU of 5iae by Molmil
Caspase 3 V266F
分子名称: ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ...
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IAN
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BU of 5ian by Molmil
Caspase 3 V266N
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, LEU-SER-SER, ...
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IBR
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BU of 5ibr by Molmil
Caspase 3 V266K
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-22
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JAZ
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BU of 5jaz by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC51 and manganese
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, FORMIC ACID, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2016-04-12
公開日2016-08-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
6D4E
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BU of 6d4e by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG1.
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, CHLORIDE ION, Fc Fragment of IgG1
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
5N68
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BU of 5n68 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9m
分子名称: 2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14
著者Buehrmann, M, Mueller, M.P, Rauh, D.
登録日2017-02-14
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
5N63
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BU of 5n63 by Molmil
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c
分子名称: Mitogen-activated protein kinase 14, ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
著者Buehrmann, M, Mueller, M.P, Rauh, D.
登録日2017-02-14
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
6CDO
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BU of 6cdo by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519
分子名称: HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ...
著者Xu, K, Liu, K, Kwong, P.D.
登録日2018-02-08
公開日2018-05-16
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
5IBP
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BU of 5ibp by Molmil
Caspase 3 V266M
分子名称: ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-22
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5I9B
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BU of 5i9b by Molmil
Caspase 3 V266A
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-19
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IBC
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BU of 5ibc by Molmil
Caspase 3 V266I
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-22
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5N66
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Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j
分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
著者Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D.
登録日2017-02-14
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017

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