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6E7D
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Structure of the inhibitory NKR-P1B receptor bound to the host-encoded ligand, Clr-b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, Killer cell lectin-like receptor subfamily B member 1B allele B, ...
著者Balaji, G.R, Rossjohn, J, Berry, R.
登録日2018-07-26
公開日2018-10-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Recognition of host Clr-b by the inhibitory NKR-P1B receptor provides a basis for missing-self recognition.
Nat Commun, 9, 2018
8QTG
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Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTJ
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Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8QTK
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Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31)
分子名称: 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-10-12
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.873 Å)
主引用文献Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
8JOH
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structure of Echinococcus multilocularis Cystatin B
分子名称: Cystatin B Stefin B
著者Huang, S.Q, Hong, W.B.
登録日2023-06-07
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal Structure of Echinococcus multilocularis Cystatin B
To Be Published
6QYT
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BU of 6qyt by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A truncated analogue
分子名称: DAL-LEU-SER-LEU-CYS-ALA
著者Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
登録日2019-03-09
公開日2019-09-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYV
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BU of 6qyv by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A (Ser2, Ala5, Ala8) analogue
分子名称: PHE-SER-DAL-LEU-ALA-LEU-CYS-ALA
著者Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
登録日2019-03-09
公開日2019-09-11
最終更新日2019-10-02
実験手法SOLUTION NMR
主引用文献Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QYU
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Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring A
分子名称: PHE-DHA-DAL-LEU-DHA-LEU-CYS-ALA
著者Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
登録日2019-03-09
公開日2019-09-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
6QM1
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BU of 6qm1 by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B (Lan8,11) analogue
分子名称: DAL-PRO-GLY-CYS-LYS
著者Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
登録日2019-02-01
公開日2019-09-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
8AU4
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BU of 8au4 by Molmil
Structural insights reveal a heterotetramer between oncogenic K-Ras4BG12V and Rgl2, a RalA/B activator
分子名称: Ral guanine nucleotide dissociation stimulator-like 2
著者Tariq, M, Ikeya, T, Togashi, N, Fairall, L, Alejo, C.B, Kamei, S, Alonso, B.R, Campillo, M.A.M, Hudson, A, Ito, Y, Schwabe, J, Dominguez, C, Tanaka, K.
登録日2022-08-25
公開日2023-08-23
最終更新日2023-10-25
実験手法SOLUTION NMR
主引用文献Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator.
Life Sci Alliance, 7, 2024
8IBQ
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BU of 8ibq by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-02-10
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
8IDH
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BU of 8idh by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-02-13
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
6V4O
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BU of 6v4o by Molmil
Structure of human 2E01 Fab in complex with influenza virus neuraminidase from B/Phuket/3073/2013
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain, Antibody Fab light chain, ...
著者Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-11-28
公開日2020-10-07
最終更新日2020-10-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Human Antibodies Targeting Influenza B Virus Neuraminidase Active Site Are Broadly Protective.
Immunity, 53, 2020
6QYW
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BU of 6qyw by Molmil
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - nisin ring A
分子名称: ILE-DBU-DAL-ILE-DHA-LEU-CYS-ALA
著者Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B.
登録日2019-03-09
公開日2019-09-11
最終更新日2019-10-02
実験手法SOLUTION NMR
主引用文献Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
8PWO
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BU of 8pwo by Molmil
Hepatitis B core protein with bound Geraniol
分子名称: Capsid protein, Geraniol
著者Makbul, C, Khayenko, V, Maric, M.H, Bottcher, B.
登録日2023-07-21
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Peptide dimers aggregate Hepatitis B core proteins in live cells
To Be Published
5GPB
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BU of 5gpb by Molmil
COMPARISON OF THE BINDING OF GLUCOSE AND GLUCOSE-1-PHOSPHATE DERIVATIVES TO T-STATE GLYCOGEN PHOSPHORYLASE B
分子名称: (1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE, ...
著者Martin, J.L, Johnson, L.N.
登録日1990-06-04
公開日1992-10-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Comparison of the binding of glucose and glucose 1-phosphate derivatives to T-state glycogen phosphorylase b.
Biochemistry, 29, 1990
6V4N
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BU of 6v4n by Molmil
Structure of human 1G05 Fab in complex with influenza virus neuraminidase from B/Phuket/3073/2013
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain, Antibody Fab light chain, ...
著者Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-11-28
公開日2020-10-07
最終更新日2020-10-28
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Human Antibodies Targeting Influenza B Virus Neuraminidase Active Site Are Broadly Protective.
Immunity, 53, 2020
6BVF
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BU of 6bvf by Molmil
Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
分子名称: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
著者Schlicksup, C, Wang, J.C, Zlotnick, A.
登録日2017-12-12
公開日2018-02-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018
4RX6
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BU of 4rx6 by Molmil
Structure of B. subtilis GlnK-ATP complex to 2.6 Angstrom
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory PII-like protein
著者Schumacher, M.A, Cuthbert, B, Tonthat, N, Chinnam, N.G, Whitfill, T.
登録日2014-12-09
公開日2015-12-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5994 Å)
主引用文献Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis.
Genes Dev., 29, 2015
5OMY
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BU of 5omy by Molmil
HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
分子名称: 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha
著者Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
登録日2017-08-02
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
8PX3
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BU of 8px3 by Molmil
Hepatitis B core protein with bound P1dC
分子名称: External core antigen, P1dC
著者Makbul, C, Khayenko, V, Maric, M.H, Bottcher, B.
登録日2023-07-22
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Peptide dimers aggregate Hepatitis B core proteins in live cells
To Be Published
8PX6
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BU of 8px6 by Molmil
Hepatitis B core protein with bound SLLGRM-dimer
分子名称: External core antigen, SLLGRM-dimer
著者Makbul, C, Khayenko, V, Maric, M.H, Bottcher, B.
登録日2023-07-22
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Peptide dimers aggregate Hepatitis B core proteins in live cells
To Be Published
6TPA
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BU of 6tpa by Molmil
CDK8/CyclinC in complex with drug ETP-50775
分子名称: (2~{R})-butane-1,2-diol, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea, Cyclin-C, ...
著者Munoz, I.G, Pastor, J, Martinez, S.
登録日2019-12-12
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives as CDK8 inhibitors.
Eur.J.Med.Chem., 201, 2020
8K9H
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BU of 8k9h by Molmil
Complex structure of Acetoacetate:butyrate/acetate coenzyme A transferase and Butyrate-acetoacetate CoA-transferase subunit B from Fusobacterium nucleatum ATCC 25586
分子名称: Acetoacetate:butyrate/acetate coenzyme A transferase, Butyrate-acetoacetate CoA-transferase subunit B, SULFATE ION
著者Bai, X, Zhao, Z.D, Xu, Y.B.
登録日2023-08-01
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Complex structure of Acetoacetate:butyrate/acetate coenzyme A transferase and Butyrate-acetoacetate CoA-transferase subunit B from Fusobacterium nucleatum ATCC 25586
To Be Published
6BVN
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BU of 6bvn by Molmil
Cryo-EM Structure of Hepatitis B virus T=3 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
分子名称: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
著者Schlicksup, C, Wang, J.C, Zlotnick, A.
登録日2017-12-13
公開日2018-02-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018

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件を2024-09-18に公開中

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