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8DS5
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BU of 8ds5 by Molmil
X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex
分子名称: CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ...
著者Fischmann, T.O.
登録日2022-07-21
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.926 Å)
主引用文献Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022
8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
分子名称: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
著者Lin, T.H, Lee, C.C.D, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
分子名称: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
著者Lee, C.C.D, Lin, T.H, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
分子名称: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
著者Lee, C.C.D, Lin, T.H, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6R
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BU of 6c6r by Molmil
Human Squalene Epoxidase (SQLE, Squalene Monooxygenase) structure with FAD
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Padyana, A.K, Jin, L.
登録日2018-01-19
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
3CCN
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BU of 3ccn by Molmil
X-ray structure of c-Met with triazolopyridazine inhibitor.
分子名称: 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor
著者Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F.
登録日2008-02-26
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
3G42
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BU of 3g42 by Molmil
Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor
分子名称: ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION
著者Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I.
登録日2009-02-03
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem., 17, 2009
3CD8
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BU of 3cd8 by Molmil
X-ray Structure of c-Met with triazolopyridazine Inhibitor.
分子名称: 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline, Hepatocyte growth factor receptor
著者Bellon, S.F, Albrecht, B.K, Harmange, J.-C, Bauer, D, Choquette, D, Dussault, I.
登録日2008-02-26
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
5DWR
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BU of 5dwr by Molmil
Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies
分子名称: N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C, Bussiere, D, Burger, M.
登録日2015-09-22
公開日2015-11-11
最終更新日2015-11-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
1G69
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BU of 1g69 by Molmil
THIAMIN PHOSPHATE SYNTHASE
分子名称: 2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, MAGNESIUM ION, ...
著者Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E.
登録日2000-11-03
公開日2001-09-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase.
Biochemistry, 40, 2001
6JKM
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BU of 6jkm by Molmil
Crystal structure of BubR1 kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
登録日2019-03-01
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
8D1I
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BU of 8d1i by Molmil
hBest1 1uM Ca2+ (Ca2+-bound) closed state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (1.82 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1G
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BU of 8d1g by Molmil
hBest2 Ca2+-bound open state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ...
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.07 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1K
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BU of 8d1k by Molmil
hBest1 Ca2+-bound partially open neck state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1O
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BU of 8d1o by Molmil
hBest1_345 Ca2+-bound open state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1F
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BU of 8d1f by Molmil
hBest2 5mM Ca2+ (Ca2+-bound) closed state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ...
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (1.82 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1N
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BU of 8d1n by Molmil
bBest2_345 Ca2+-bound open state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin, ...
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (1.93 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1E
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BU of 8d1e by Molmil
hBest2 1uM Ca2+ (Ca2+-bound) closed state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ...
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (1.78 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1L
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hBest1 Ca2+-bound partially open aperture state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION, ...
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.12 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1J
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BU of 8d1j by Molmil
hBest1 5mM Ca2+ (Ca2+-bound) closed state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bestrophin-1, CALCIUM ION
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.05 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1M
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BU of 8d1m by Molmil
hBest1 Ca2+-unbound closed state
分子名称: Bestrophin-1
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
8D1H
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BU of 8d1h by Molmil
hBest2 Ca2+-unbound closed state
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, Bestrophin-2, ...
著者Owji, A.P, Kittredge, A, Hendrickson, W.A, Tingting, Y.
登録日2022-05-27
公開日2022-07-13
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (1.94 Å)
主引用文献Structures and gating mechanisms of human bestrophin anion channels.
Nat Commun, 13, 2022
2E8T
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BU of 2e8t by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, FsPP and IPP
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ...
著者Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
登録日2007-01-23
公開日2007-06-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
6JKK
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BU of 6jkk by Molmil
Crystal structure of BubR1 kinase domain
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1
著者Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
登録日2019-03-01
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019

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