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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
5T6Y
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BU of 5t6y by Molmil
HLA-B*57:01 presenting TSTFEDVKILAF
分子名称: ACETATE ION, Beta-2-microglobulin, Decapeptide: THR-SER-THR-PHE-GLU-ASP-VAL-LYS-ILE-LEU-ALA-PHE, ...
著者Pymm, P, Rossjohn, J, Vivian, J.P.
登録日2016-09-02
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
4ZFO
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BU of 4zfo by Molmil
J22.9-xi: chimeric mouse/human antibody against human BCMA (CD269)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, J22.9-xi Fab, ...
著者Marino, S.F, Daumke, O, Olal, D.
登録日2015-04-21
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Potent anti-tumor response by targeting B cell maturation antigen (BCMA) in a mouse model of multiple myeloma.
Mol Oncol, 9, 2015
8QO9
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BU of 8qo9 by Molmil
Cryo-EM structure of a human spliceosomal B complex protomer
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, MINX pre-mRNA, Microfibrillar-associated protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Urlaub, H, Stark, H, Luehrmann, R.
登録日2023-09-28
公開日2024-01-24
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (5.29 Å)
主引用文献Cryo-EM analyses of dimerized spliceosomes provide new insights into the functions of B complex proteins.
Embo J., 43, 2024
5H07
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BU of 5h07 by Molmil
TNIP2-Ub complex, C2 form
分子名称: Polyubiquitin-C, TNFAIP3-interacting protein 2
著者Lo, Y.C, Lin, S.C.
登録日2016-10-04
公開日2017-03-08
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Structural Insights into Linear Tri-ubiquitin Recognition by A20-Binding Inhibitor of NF-kappa B, ABIN-2
Structure, 25, 2017
8EMA
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BU of 8ema by Molmil
mouse full length B cell receptor
分子名称: Anti-human Langerin 2G3 lambda chain, B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, ...
著者Ying, D, Xiong, P, Michael, R.
登録日2022-09-27
公開日2022-11-16
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (8.2 Å)
主引用文献Structural principles of B cell antigen receptor assembly.
Nature, 612, 2022
5WJW
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BU of 5wjw by Molmil
Cryo-EM structure of B. subtilis flagellar filaments H84R
分子名称: Flagellin
著者Wang, F, Burrage, A.M, Orlova, A, Kearns, D.B, Egelman, E.H.
登録日2017-07-24
公開日2017-10-25
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
4IVA
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BU of 4iva by Molmil
JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE
分子名称: Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile
著者Eigenbrot, C, Shia, S.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
6N5W
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BU of 6n5w by Molmil
Crystal structure of the Ca2+/CaM complex with independent peptides of Kv7.4 (KCNQ4) A & B domains
分子名称: CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 4
著者Taylor, A.B, Archer, C.R, Shapiro, M.S.
登録日2018-11-22
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A mutually induced conformational fit underlies Ca2+-directed interactions between calmodulin and the proximal C terminus of KCNQ4 K+channels.
J. Biol. Chem., 294, 2019
3NGS
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BU of 3ngs by Molmil
Structure of Leishmania nucleoside diphosphate kinase b with ordered nucleotide-binding loop
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Nucleoside diphosphate kinase, PHOSPHATE ION
著者Trindade, D.M, Sousa, T.A.C.B, Tonoli, C.C.C, Santos, C.R, Arni, R.K, Ward, R.J, Oliveira, A.H.C, Murakami, M.T.
登録日2010-06-13
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding.
Mol Biosyst, 7, 2011
5UPJ
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BU of 5upj by Molmil
HIV-2 PROTEASE/U99283 COMPLEX
分子名称: 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE, HIV-2 PROTEASE
著者Watenpaugh, K.D, Mulichak, A.M, Finzel, B.C.
登録日1996-12-10
公開日1997-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Use of medium-sized cycloalkyl rings to enhance secondary binding: discovery of a new class of human immunodeficiency virus (HIV) protease inhibitors.
J.Med.Chem., 38, 1995
3W32
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BU of 3w32 by Molmil
EGFR kinase domain complexed with compound 20a
分子名称: 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Sogabe, S, Kawakita, Y.
登録日2012-12-07
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
3WC7
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BU of 3wc7 by Molmil
Carboxypeptidase B in complex with EF6265
分子名称: (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid, Carboxypeptidase B, ZINC ION
著者Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K.
登録日2013-05-24
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
6M1J
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BU of 6m1j by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x
分子名称: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
5B23
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BU of 5b23 by Molmil
X-ray Structure of Clostridium Perfringens Sortase B
分子名称: Uncharacterized protein Sortase B
著者Kamitori, S, Yoshida, H, Tamai, E.
登録日2015-12-28
公開日2016-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structure of Clostridium perfringens sortase B cysteine transpeptidase
Biochem. Biophys. Res. Commun., 493, 2017
5BQ6
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BU of 5bq6 by Molmil
Structure of the yeast F1FO ATPase C10 ring with oligomycin B
分子名称: ATP synthase subunit 9, mitochondrial, oligomycin B
著者Symersky, J, Xu, T, Mueller, D.M.
登録日2015-05-28
公開日2015-08-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the yeast F1FO ATPase C10 ring with oligomycin B
To be Published
4ZV7
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BU of 4zv7 by Molmil
Crystal structure of hexagonal form of lipase B from Candida antarctica
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B
著者Strzelczyk, P, Blaszczyk, J, Bujacz, G.
登録日2015-05-18
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal and molecular structure of hexagonal form of lipase B from Candida antarctica.
Acta Biochim.Pol., 63, 2016
6NR6
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BU of 6nr6 by Molmil
Crystal Structure of Staphylococcus pseudintermedius SbnI in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional transcriptional regulator/O-phospho-L-serine synthase SbnI, MAGNESIUM ION
著者Verstraete, M.M, Morales, L.D, Kobylarz, M.J, Loutet, S.A, Laakso, H.A, Heinrichs, D.E, Murphy, M.E.P.
登録日2019-01-22
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus .
J.Biol.Chem., 294, 2019
3WAB
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BU of 3wab by Molmil
Carboxypeptidase B in complex with DD2
分子名称: (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ...
著者Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K.
登録日2013-05-01
公開日2013-10-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.154 Å)
主引用文献Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
3WC5
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BU of 3wc5 by Molmil
Carboxypeptidase B in complex with DD9
分子名称: (2R)-7-amino-2-(selanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ...
著者Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K.
登録日2013-05-24
公開日2013-10-02
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
1MQY
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BU of 1mqy by Molmil
NMR solution structure of type-B lantibiotics mersacidin in DPC micelles
分子名称: LANTIBIOTIC MERSACIDIN
著者Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M.
登録日2002-09-17
公開日2003-03-11
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
1MQZ
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BU of 1mqz by Molmil
NMR solution structure of type-B lantibiotics mersacidin bound to lipid II in DPC micelles
分子名称: LANTIBIOTIC MERSACIDIN
著者Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M.
登録日2002-09-17
公開日2003-03-11
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
5WJX
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BU of 5wjx by Molmil
Cryo-EM structure of B. subtilis flagellar filaments S17P
分子名称: Flagellin
著者Wang, F, Burrage, A.M, Orlova, A, Kearns, D.B, Egelman, E.H.
登録日2017-07-24
公開日2017-10-25
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.7 Å)
主引用文献A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
5CMJ
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BU of 5cmj by Molmil
GTA mutant with mercury - E303Q
分子名称: Histo-blood group ABO system transferase, MERCURY (II) ION
著者Gagnon, S.M.L, Blackler, R.J.
登録日2015-07-16
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
3W33
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EGFR kinase domain complexed with compound 19b
分子名称: 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Sogabe, S, Kawakita, Y.
登録日2012-12-07
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013

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