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8AT2
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BU of 8at2 by Molmil
Structure of the augmin TIII subcomplex
分子名称: HAUS augmin like complex subunit 4 L homeolog, HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 3, ...
著者Zupa, E, Pfeffer, S.
登録日2022-08-22
公開日2022-09-28
最終更新日2022-10-26
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
8AT3
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BU of 8at3 by Molmil
Structure of the augmin holocomplex in open conformation
分子名称: HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ...
著者Zupa, E, Pfeffer, S.
登録日2022-08-22
公開日2022-09-28
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (33 Å)
主引用文献The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
8AT4
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BU of 8at4 by Molmil
Structure of the augmin holocomplex in closed conformation
分子名称: HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ...
著者Zupa, E, Pfeffer, S.
登録日2022-08-22
公開日2022-09-28
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (33 Å)
主引用文献The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
6YFY
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BU of 6yfy by Molmil
Solid-state NMR structure of the D-Arg4,L10-teixobactin - Lipid II complex in lipid bilayers.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, D-Arg4,Leu10-Teixobactin, ...
著者Weingarth, M.H, Shukla, R.
登録日2020-03-26
公開日2020-06-10
最終更新日2023-11-15
実験手法SOLID-STATE NMR
主引用文献Mode of action of teixobactins in cellular membranes.
Nat Commun, 11, 2020
7QCT
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BU of 7qct by Molmil
PDZ2 of LNX2 with SARS-CoV-2_E PBM complex
分子名称: Envelope small membrane protein, Ligand of Numb protein X 2
著者Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C.
登録日2021-11-25
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.197 Å)
主引用文献Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.
Front Microbiol, 13, 2022
7QCR
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BU of 7qcr by Molmil
MLLT4/Afadin PDZ domain in complex with the C-terminal peptide from protein E of SARS-CoV-2
分子名称: Afadin, Envelope small membrane protein, SULFATE ION
著者Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C.
登録日2021-11-25
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.
Front Microbiol, 13, 2022
7QCS
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BU of 7qcs by Molmil
PALS1/MPP5 PDZ domain in complex with SARS-CoV-2_E PBM peptide
分子名称: Envelope small membrane protein, Protein PALS1
著者Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C.
登録日2021-11-25
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.
Front Microbiol, 13, 2022
7NZY
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BU of 7nzy by Molmil
Crystal structure of human Casein Kinase I delta in complex with CGS-15943
分子名称: 9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine, Casein kinase I isoform delta, MALONATE ION, ...
著者Pichlo, C, Baumann, U.
登録日2021-03-24
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Phenotypic Discovery of Triazolo[1,5- c ]quinazolines as a First-In-Class Bone Morphogenetic Protein Amplifier Chemotype.
J.Med.Chem., 65, 2022
6THL
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BU of 6thl by Molmil
Crystal structure of the complex between RTT106 and BCD1
分子名称: Box C/D snoRNA protein 1, Rtt106p
著者Charron, C, Bragantini, B, Manival, X, Charpentier, B.
登録日2019-11-20
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The box C/D snoRNP assembly factor Bcd1 interacts with the histone chaperone Rtt106 and controls its transcription dependent activity.
Nat Commun, 12, 2021
6SS5
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BU of 6ss5 by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0020187
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
5KU3
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BU of 5ku3 by Molmil
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
著者Murray, J.M, Huang, W.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5AO2
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BU of 5ao2 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) R164A variant bound to dGTP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.966 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
6SS6
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BU of 6ss6 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0020187
分子名称: Arginase-2, mitochondrial, Fab C0020187 heavy chain (IgG1), ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NZ2
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BU of 6nz2 by Molmil
NMR solution structure of Bcd1p120-303 from Saccharomyces cerevisiae
分子名称: Box C/D snoRNA protein 1
著者Bragantini, B, Quinternet, M, Charpentier, B, Manival, X.
登録日2019-02-12
公開日2020-08-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The box C/D snoRNP assembly factor Bcd1 interacts with the histone chaperone Rtt106 and controls its transcription dependent activity.
Nat Commun, 12, 2021
5KTX
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BU of 5ktx by Molmil
CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ...
著者Murray, J.M, Noland, C.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
3BX7
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BU of 3bx7 by Molmil
Engineered Human Lipocalin 2 (LCN2) in Complex with the Extracellular Domain of Human CTLA-4
分子名称: CYTOTOXIC T-LYMPHOCYTE-ASSOCIATED ANTIGEN 4, ENGINEERED HUMAN LIPOCALIN 2
著者Schonfeld, D.L, Chatwell, L, Skerra, A.
登録日2008-01-11
公開日2009-01-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published
5KTW
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BU of 5ktw by Molmil
CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide)
分子名称: 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein
著者Murray, J.M, Boenig, G.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.087 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
3BX8
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BU of 3bx8 by Molmil
Engineered Human Lipocalin 2 (LCN2), apo-form
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ENGINEERED HUMAN LIPOCALIN 2, PENTAETHYLENE GLYCOL
著者Schonfeld, D.L, Chatwell, L, Skerra, A.
登録日2008-01-11
公開日2009-01-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published
5I86
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BU of 5i86 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174
分子名称: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5IMM
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BU of 5imm by Molmil
Nanobody targeting mouse Vsig4 in Spacegroup P212121
分子名称: Nanobody, Protein Vsig4
著者Wen, Y, Zheng, F.
登録日2016-03-06
公開日2017-01-11
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity
Immunobiology, 222, 2017
6SWV
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BU of 6swv by Molmil
Trypsin fast data collection
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者von Stetten, D, Mueller-Dieckmann, C.
登録日2019-09-24
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.432 Å)
主引用文献ID30A-3 (MASSIF-3) - a beamline for macromolecular crystallography at the ESRF with a small intense beam.
J.Synchrotron Radiat., 27, 2020
3KEN
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BU of 3ken by Molmil
Human Eg5 in complex with S-trityl-L-cysteine
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K.
登録日2009-10-26
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric drug discrimination is coupled to mechanochemical changes in the kinesin-5 motor core.
J.Biol.Chem., 285, 2010
6N0Q
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BU of 6n0q by Molmil
BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
分子名称: N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2018-11-07
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
6N0P
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BU of 6n0p by Molmil
BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
分子名称: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2018-11-07
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
3R20
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BU of 3r20 by Molmil
Crystal structure of cytidylate kinase from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytidylate kinase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-03-11
公開日2011-04-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015

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