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7LUD
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BU of 7lud by Molmil
Crystal structure of Fab ADI-14442
分子名称: ADI-14442 Fab Heavy chain, ADI-14442 Fab Light chain, SULFATE ION
著者Rush, S.A, McLellan, J.S.
登録日2021-02-22
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses.
Immunity, 54, 2021
4GE6
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BU of 4ge6 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 7
分子名称: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide, Tyrosine-protein phosphatase non-receptor type 9
著者Zhang, Z.-Y, Liu, S, Zhang, S.
登録日2012-08-01
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
3OLD
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BU of 3old by Molmil
Crystal structure of alpha-amylase in complex with acarviostatin I03
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ...
著者Qin, X, Ren, L.
登録日2010-08-26
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes
J.Struct.Biol., 174, 2011
1XCA
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BU of 1xca by Molmil
APO-CELLULAR RETINOIC ACID BINDING PROTEIN II
分子名称: CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II
著者Chen, X, Ji, X.
登録日1996-12-31
公開日1998-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of apo-cellular retinoic acid-binding protein type II (R111M) suggests a mechanism of ligand entry.
J.Mol.Biol., 278, 1998
3OLG
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BU of 3olg by Molmil
Structures of human pancreatic alpha-amylase in complex with acarviostatin III03
分子名称: (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, CALCIUM ION, CHLORIDE ION, ...
著者Qin, X, Ren, L.
登録日2010-08-26
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
3OLE
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BU of 3ole by Molmil
Structures of human pancreatic alpha-amylase in complex with acarviostatin II03
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ...
著者Qin, X, Ren, L.
登録日2010-08-26
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
3H0I
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BU of 3h0i by Molmil
human Fyn SH3 domain R96I mutant, crystal form II
分子名称: Proto-oncogene tyrosine-protein kinase Fyn
著者Dumas, C, Strub, M.-P, Arold, S.T.
登録日2009-04-09
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
3H0H
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BU of 3h0h by Molmil
human Fyn SH3 domain R96I mutant, crystal form I
分子名称: Proto-oncogene tyrosine-protein kinase Fyn, TETRAETHYLENE GLYCOL
著者Dumas, C, Strub, M.-P, Arold, S.T.
登録日2009-04-09
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
3MOW
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BU of 3mow by Molmil
Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
分子名称: (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, Tyrosine-protein phosphatase non-receptor type 11
著者Zhang, Z.-Y, Liu, S, Yu, Z, Yu, X.
登録日2010-04-23
公開日2011-05-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
To be Published
5J5S
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BU of 5j5s by Molmil
Src kinase in complex with a sulfonamide inhibitor
分子名称: N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
著者Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M.
登録日2016-04-03
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors
To Be Published
2KIQ
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BU of 2kiq by Molmil
Solution structure of the FF Domain 2 of human transcription elongation factor CA150
分子名称: Transcription elongation regulator 1
著者Zeng, J, Boyles, J, Tripathy, C, Yan, A, Zhou, P, Donald, B.R.
登録日2009-05-07
公開日2009-07-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High-resolution protein structure determination starting with a global fold calculated from exact solutions to the RDC equations.
J.Biomol.Nmr, 45, 2009
7DQ9
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BU of 7dq9 by Molmil
Crystal structure of a type-A feruloyl esterase from gut Alistipes shahii
分子名称: Predicted hydrolases or acyltransferases (Alpha/beta hydrolase superfamily)
著者Wei, X, Gu, T.Y, Xin, F.J, Wang, Y.L.
登録日2020-12-22
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献The alpha-Helical Cap Domain of a Novel Esterase from Gut Alistipes shahii Shaping the Substrate-Binding Pocket.
J.Agric.Food Chem., 69, 2021
8GRR
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BU of 8grr by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W125
分子名称: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
著者He, Y, Kun, L.
登録日2022-09-02
公開日2023-10-11
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
分子名称: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
著者Zhu, Y, Yang, X, Sun, F.
登録日2020-05-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
3QJZ
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BU of 3qjz by Molmil
Crystal structure of PI3K-gamma in complex with benzothiazole 1
分子名称: N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-31
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
8HW4
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BU of 8hw4 by Molmil
Cryo-EM structure of dehydroepiandrosterone sulfate-bound human ABC transporter ABCC3 in nanodiscs
分子名称: 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, ATP-binding cassette sub-family C member 3
著者Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
登録日2022-12-28
公開日2023-06-07
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
8HW2
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BU of 8hw2 by Molmil
Cryo-EM structure of beta-estradiol 17-(beta-D-glucuronide)-bound human ABC transporter ABCC3 in nanodiscs
分子名称: ATP-binding cassette sub-family C member 3, Estradiol-17beta-glucuronide
著者Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
登録日2022-12-28
公開日2023-06-07
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
8HVH
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BU of 8hvh by Molmil
Cryo-EM structure of ABC transporter ABCC3
分子名称: ATP-binding cassette sub-family C member 3
著者Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z.
登録日2022-12-26
公開日2023-06-07
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
6ISM
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BU of 6ism by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-16
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J0L
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BU of 6j0l by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion
分子名称: Butyrophilin subfamily 3 member A3, SULFATE ION
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5YK3
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BU of 5yk3 by Molmil
human Ragulator complex
分子名称: Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ...
著者Wu, G, Mu, Z.
登録日2017-10-12
公開日2019-01-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structural insight into the Ragulator complex which anchors mTORC1 to the lysosomal membrane
Cell Discov, 3, 2017
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
6J0K
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BU of 6j0k by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5U62
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BU of 5u62 by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
著者Bussiere, D, Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
2JBH
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BU of 2jbh by Molmil
Human phosphoribosyl transferase domain containing 1
分子名称: CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
著者Welin, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Eklund, H, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P.
登録日2006-12-07
公開日2006-12-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Functional Studies of the Human Phosphoribosyltransferase Domain Containing Protein 1.
FEBS J., 277, 2010

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