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6J07
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BU of 6j07 by Molmil
Crystal structure of human TERB2 and TERB1
分子名称: Telomere repeats-binding bouquet formation protein 1, Telomere repeats-binding bouquet formation protein 2, ZINC ION
著者Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M.
登録日2018-12-21
公開日2019-02-27
実験手法X-RAY DIFFRACTION (3.298 Å)
主引用文献The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
6V7H
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BU of 6v7h by Molmil
Structure of CTX-M-14 bound to Vaborbactam at 1.0 A
分子名称: 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2019-12-08
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Antimicrob.Agents Chemother., 64, 2020
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
7KDP
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BU of 7kdp by Molmil
HCMV prefusion gB in complex with fusion inhibitor WAY-174865
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ...
著者Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X.
登録日2020-10-09
公開日2021-03-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion.
Sci Adv, 7, 2021
7KDD
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BU of 7kdd by Molmil
HCMV postfusion gB in complex with SM5-1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ...
著者Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X.
登録日2020-10-08
公開日2021-03-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion.
Sci Adv, 7, 2021
6J08
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BU of 6j08 by Molmil
Crystal structure of human MAJIN and TERB2
分子名称: Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2
著者Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M.
登録日2018-12-21
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
6JPE
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BU of 6jpe by Molmil
Crystal structure of FGFR4 kinase domain with irreversible inhibitor 1
分子名称: Fibroblast growth factor receptor 4, N-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide, SULFATE ION
著者Chen, X, Dai, S, Zhou, Z, Chen, Y.
登録日2019-03-26
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Development of a Potent and Specific FGFR4 Inhibitor for the Treatment of Hepatocellular Carcinoma.
J.Med.Chem., 63, 2020
3V3E
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BU of 3v3e by Molmil
Crystal Structure of the Human Nur77 Ligand-binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-13
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
8SPJ
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BU of 8spj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) N28T Mutant
分子名称: 3C-like proteinase nsp5
著者Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
登録日2023-05-03
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) N28T Mutant
To Be Published
8SXO
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BU of 8sxo by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164I Mutant
分子名称: 3C-like proteinase nsp5
著者Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
登録日2023-05-23
公開日2023-06-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164I Mutant
To Be Published
6D7I
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BU of 6d7i by Molmil
CTX-M-14 Apoenzyme D233N Point Mutant
分子名称: Beta-lactamase
著者Kemp, M, Nichols, D, Chen, Y.
登録日2018-04-24
公開日2019-07-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
7STQ
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BU of 7stq by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant in complex with chlorimuron-ethyl
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
著者Guddat, L.W, Cheng, Y.
登録日2021-11-15
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
6DD0
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BU of 6dd0 by Molmil
Crystal structure of VIM-2 complexed with compound 8
分子名称: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-05-08
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D7H
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BU of 6d7h by Molmil
CTX-M-14 Apoenzyme
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
著者Kemp, M, Nichols, D, Chen, Y.
登録日2018-04-24
公開日2019-07-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
7T9I
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BU of 7t9i by Molmil
Native human TSH bound to human Thyrotropin receptor in complex with miniGs399 (composite structure)
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, Glycoprotein hormones alpha chain, ...
著者Faust, B, Cheng, Y, Manglik, A.
登録日2021-12-19
公開日2022-08-03
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
7T9N
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BU of 7t9n by Molmil
M22 Agonist Autoantibody bound to Human Thyrotropin receptor in complex with miniGs399 (composite structure)
分子名称: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Faust, B, Cheng, Y, Manglik, A.
登録日2021-12-19
公開日2022-08-03
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
6B0V
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BU of 6b0v by Molmil
Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C
分子名称: 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one, CALCIUM ION, GTPase KRas, ...
著者Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P.
登録日2017-09-15
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors.
Nat. Struct. Mol. Biol., 25, 2018
7T9M
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BU of 7t9m by Molmil
Human Thyrotropin receptor bound by CS-17 Inverse Agonist Fab/Org 274179-0 Antagonist
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, CS-17 Heavy Chain, ...
著者Faust, B, Cheng, Y, Manglik, A.
登録日2021-12-19
公開日2022-08-10
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
3I9S
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BU of 3i9s by Molmil
Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6
分子名称: CHLORIDE ION, Integron cassette protein, SULFATE ION
著者Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Chang, C, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-13
公開日2009-08-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6
To be Published
6EFJ
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BU of 6efj by Molmil
Crystal structure of NDM-1 with compound 9
分子名称: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION
著者Akhtar, A, Chen, Y.
登録日2018-08-16
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6LHD
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BU of 6lhd by Molmil
Crystal structure of p53/BCL-xL fusion complex
分子名称: ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53
著者Wei, H, Chen, Y.
登録日2019-12-07
公開日2021-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
7UTZ
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BU of 7utz by Molmil
Human thyrotropin analog TR1402 bound to human Thyrotropin receptor in complex with miniGs399 (composite structure)
分子名称: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain analog TR1402, ...
著者Faust, B, Cheng, Y, Manglik, A.
登録日2022-04-28
公開日2022-08-03
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
8U4Y
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BU of 8u4y by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L50F Mutant
分子名称: 3C-like proteinase nsp5
著者Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
登録日2023-09-11
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L50F Mutant
To Be Published
6BQR
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BU of 6bqr by Molmil
Human TRPM4 ion channel in lipid nanodiscs in a calcium-free state
分子名称: CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 4
著者Autzen, H.E, Myasnikov, A.G, Campbell, M.G, Asarnow, D, Julius, D, Cheng, Y.
登録日2017-11-28
公開日2017-12-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the human TRPM4 ion channel in a lipid nanodisc.
Science, 359, 2018
6B0Y
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Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C
分子名称: 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P.
登録日2017-09-15
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors.
Nat. Struct. Mol. Biol., 25, 2018

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