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6M1D
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BU of 6m1d by Molmil
ACE2-B0AT1 complex, open conformation
分子名称: Angiotensin-converting enzyme 2, Sodium-dependent neutral amino acid transporter B(0)AT1
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
登録日2020-02-25
公開日2020-03-11
最終更新日2020-04-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
8D36
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BU of 8d36 by Molmil
Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
分子名称: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
著者Yuan, M, Lee, C.C.D, Wilson, I.A.
登録日2022-05-31
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DAO
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BU of 8dao by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
分子名称: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
著者Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
登録日2022-06-13
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
分子名称: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
著者Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8GRS
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BU of 8grs by Molmil
human TMEM63A
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CSC1-like protein 1
著者Zhang, M.F.
登録日2022-09-02
公開日2023-06-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
8GRN
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BU of 8grn by Molmil
AtOSCA1.1 extended state
分子名称: Protein OSCA1, [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
著者Zhang, M.F.
登録日2022-09-02
公開日2023-06-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
8GSO
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BU of 8gso by Molmil
AtOSCA3.1 channel extended state
分子名称: CSC1-like protein ERD4
著者Zhang, M.F.
登録日2022-09-06
公開日2023-06-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
8GRO
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BU of 8gro by Molmil
AtOSCA3.1 contracted state
分子名称: CSC1-like protein ERD4
著者Zhang, M.F.
登録日2022-09-02
公開日2023-06-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
5JRS
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BU of 5jrs by Molmil
CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE
分子名称: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2016-05-06
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).
J.Med.Chem., 59, 2016
8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
分子名称: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
著者Lin, T.H, Lee, C.C.D, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
分子名称: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
著者Lee, C.C.D, Lin, T.H, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
分子名称: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
著者Lee, C.C.D, Lin, T.H, Wilson, I.A.
登録日2022-07-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
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2024-07-17
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
5M4Y
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BU of 5m4y by Molmil
Crystal structure of the Sec3/Sso2 complex at 2.20 angstrom resolution
分子名称: Exocyst complex component SEC3, GLYCEROL, Protein SSO2
著者Zhang, Y.B, Dong, G.
登録日2016-10-19
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sec3 promotes the initial binary t-SNARE complex assembly and membrane fusion.
Nat Commun, 8, 2017
1G72
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BU of 1g72 by Molmil
CATALYTIC MECHANISM OF QUINOPROTEIN METHANOL DEHYDROGENASE: A THEORETICAL AND X-RAY CRYSTALLOGRAPHIC INVESTIGATION
分子名称: CALCIUM ION, METHANOL DEHYDROGENASE HEAVY SUBUNIT, METHANOL DEHYDROGENASE LIGHT SUBUNIT, ...
著者Zheng, Y, Xia, Z, Chen, Z, Bruice, T.C, Mathews, F.S.
登録日2000-11-08
公開日2001-01-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalytic mechanism of quinoprotein methanol dehydrogenase: A theoretical and x-ray crystallographic investigation.
Proc.Natl.Acad.Sci.USA, 98, 2001
8BNS
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BU of 8bns by Molmil
Crystal structure of Pif1 from Sulfurihydrogenibium sp in complex with ADP
分子名称: AAA ATPase, ADENOSINE-5'-DIPHOSPHATE
著者Rety, S, Chen, W.F, Xi, X.G.
登録日2022-11-14
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
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
7UD7
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BU of 7ud7 by Molmil
Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Donkor, A.K, Musayev, F.N, Safo, M.K.
登録日2022-03-18
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
6TY9
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BU of 6ty9 by Molmil
In situ structure of BmCPV RNA dependent RNA polymerase at initiation state
分子名称: MAGNESIUM ION, Non-template RNA (5'-D(*(GTA))-R(P*GP*UP*AP*AP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), RNA-dependent RNA Polymerase, ...
著者Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H.
登録日2019-08-08
公開日2019-11-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Conservative transcription in three steps visualized in a double-stranded RNA virus.
Nat.Struct.Mol.Biol., 26, 2019
6TZ1
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BU of 6tz1 by Molmil
In situ structure of BmCPV RNA-dependent RNA polymerase at early-elongation state
分子名称: Non-template RNA (5'-D(*(GTA))-R(P*GP*UP*A)-3'), RNA-dependent RNA Polymerase, Template RNA (5'-R(P*AP*GP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ...
著者Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H.
登録日2019-08-09
公開日2019-11-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Conservative transcription in three steps visualized in a double-stranded RNA virus.
Nat.Struct.Mol.Biol., 26, 2019
6TY8
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BU of 6ty8 by Molmil
In situ structure of BmCPV RNA dependent RNA polymerase at quiescent state
分子名称: P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA-dependent RNA Polymerase, Viral structural protein 4
著者Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H.
登録日2019-08-08
公開日2019-11-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conservative transcription in three steps visualized in a double-stranded RNA virus.
Nat.Struct.Mol.Biol., 26, 2019
7UD8
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Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom
分子名称: (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Donkor, A.K, Musayev, F.N, Safo, M.S.
登録日2022-03-18
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
6TZ2
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BU of 6tz2 by Molmil
In situ structure of BmCPV RNA-dependent RNA polymerase at elongation state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-template RNA (36-MER), ...
著者Cui, Y.X, Zhang, Y.N, Sun, J.C, Zhou, Z.H.
登録日2019-08-09
公開日2019-11-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Conservative transcription in three steps visualized in a double-stranded RNA virus.
Nat.Struct.Mol.Biol., 26, 2019

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