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8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KHC
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BU of 8khc by Molmil
SARS-CoV-2 Omicron spike in complex with 5817 Fab
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, Heavy chain of 5817 Fab, ...
著者Cao, L, Wang, X.
登録日2023-08-21
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
分子名称: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNG
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BU of 8qng by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
分子名称: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNH
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BU of 8qnh by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
分子名称: 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8D5P
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BU of 8d5p by Molmil
Mouse TCR TG6
分子名称: TCR-alpha, TCR-beta
著者Wang, Y, Dai, S.
登録日2022-06-05
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Peptide Centric V beta Specific Germline Contacts Shape a Specialist T Cell Response.
Front Immunol, 13, 2022
8D5N
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BU of 8d5n by Molmil
Crystal structure of Ld-HF10
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
著者Wang, Y, Dai, S.
登録日2022-06-05
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Peptide Centric V beta Specific Germline Contacts Shape a Specialist T Cell Response.
Front Immunol, 13, 2022
8D5Q
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BU of 8d5q by Molmil
TCR TG6 in complex with Ld-HF10
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dense granule protein 6, HF10 peptide, ...
著者Wang, Y, Dai, S.
登録日2022-06-05
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Peptide Centric V beta Specific Germline Contacts Shape a Specialist T Cell Response.
Front Immunol, 13, 2022
6INW
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BU of 6inw by Molmil
A Pericyclic Reaction enzyme
分子名称: O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Feng, Y, Chang, M, Wang, H, Liu, Z, Zhou, Y.
登録日2018-10-28
公開日2019-07-03
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Crystal structure of the multifunctional SAM-dependent enzyme LepI provides insights into its catalytic mechanism.
Biochem.Biophys.Res.Commun., 515, 2019
5MES
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BU of 5mes by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
分子名称: (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
7P13
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BU of 7p13 by Molmil
2.29 A Mycobacterium tuberculosis EspB.
分子名称: ESX-1 secretion-associated protein EspB
著者Gijsbers, A, Zhang, Y, Vinciauskaite, V, Siroy, A, Gao, Y, Tria, G, Mathew, A, Sanchez-Puig, N, Lopez-Iglesias, C, Peters, P.J, Ravelli, R.B.G.
登録日2021-07-01
公開日2021-08-18
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Priming mycobacterial ESX-secreted protein B to form a channel-like structure.
Curr Res Struct Biol, 3, 2021
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
分子名称: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
著者Greasley, S.E, Johnson, E, Brodsky, O.
登録日2022-06-17
公開日2023-07-05
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
4RGQ
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BU of 4rgq by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH with NADPH and DHAP
分子名称: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-1-phosphate dehydrogenase, ...
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-30
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4RGV
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BU of 4rgv by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH
分子名称: Glycerol-1-phosphate dehydrogenase, MAGNESIUM ION, ZINC ION
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-30
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
4RFL
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BU of 4rfl by Molmil
Crystal structure of G1PDH with NADPH from Methanocaldococcus jannaschii
分子名称: 1,2-ETHANEDIOL, Glycerol-1-phosphate dehydrogenase [NAD(P)+], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-26
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
7Y77
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BU of 7y77 by Molmil
Crystal structure of rice NAL1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Protein NARROW LEAF 1
著者Yan, J.J, Guan, Z.Y, Yin, P, Xiong, L.Z.
登録日2022-06-21
公開日2023-07-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Serine protease NAL1 exerts pleiotropic functions through degradation of TOPLESS-related corepressor in rice.
Nat.Plants, 9, 2023
1RHU
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BU of 1rhu by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR
分子名称: (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RE1
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BU of 1re1 by Molmil
CRYSTAL STRUCTURE OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
分子名称: (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-06
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis
J.Med.Chem., 47, 2004
4ZQA
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BU of 4zqa by Molmil
Crystal Structure of the Sds3 Dimerization Domain
分子名称: Sin3 histone deacetylase corepressor complex component SDS3
著者Chan, C.W, Mondragon, A, Clark, M, Radhakrishnan, I.
登録日2015-05-08
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
1RHQ
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BU of 1rhq by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A BROMOMETHOXYPHENYL INHIBITOR
分子名称: 5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
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
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
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
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
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

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