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3VF5
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BU of 3vf5 by Molmil
Crystal Structure of HIV-1 Protease Mutant I47V with novel P1'-Ligands GRL-02031
分子名称: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, ACETATE ION, CHLORIDE ION, ...
著者Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
登録日2012-01-09
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
3VF7
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BU of 3vf7 by Molmil
Crystal Structure of HIV-1 Protease Mutant L76V with novel P1'-Ligands GRL-02031
分子名称: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
登録日2012-01-09
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
3VFA
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BU of 3vfa by Molmil
Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031
分子名称: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, SODIUM ION, ...
著者Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
登録日2012-01-09
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
3VFB
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BU of 3vfb by Molmil
Crystal Structure of HIV-1 Protease Mutant N88D with novel P1'-Ligands GRL-02031
分子名称: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
登録日2012-01-09
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
6M1S
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BU of 6m1s by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o
分子名称: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
3J9E
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BU of 3j9e by Molmil
Atomic structure of a non-enveloped virus reveals pH sensors for a coordinated process of cell entry
分子名称: VP5
著者Zhang, X, Patel, A, Celma, C, Roy, P, Zhou, Z.H.
登録日2015-01-10
公開日2015-12-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Atomic model of a nonenveloped virus reveals pH sensors for a coordinated process of cell entry.
Nat.Struct.Mol.Biol., 23, 2016
3J9D
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BU of 3j9d by Molmil
Atomic structure of a non-enveloped virus reveals pH sensors for a coordinated process of cell entry
分子名称: Outer capsid protein VP2, ZINC ION
著者Zhang, X, Patel, A, Celma, C, Roy, P, Zhou, Z.H.
登録日2015-01-09
公開日2015-12-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Atomic model of a nonenveloped virus reveals pH sensors for a coordinated process of cell entry.
Nat.Struct.Mol.Biol., 23, 2016
2GDJ
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BU of 2gdj by Molmil
Delta-62 RADA recombinase in complex with AMP-PNP and magnesium
分子名称: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wu, Y, Qian, X, He, Y, Luo, Y.
登録日2006-03-16
公開日2006-05-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Rad51/RadA N-Terminal Domain Activates Nucleoprotein Filament ATPase Activity.
Structure, 14, 2006
6SB1
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BU of 6sb1 by Molmil
Crystal structure of murine perforin-2 P2 domain crystal form 1
分子名称: CHLORIDE ION, GLYCEROL, Macrophage-expressed gene 1 protein
著者Ni, T, Ginger, L, Gilbert, R.J.C.
登録日2019-07-18
公開日2020-02-05
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity.
Sci Adv, 6, 2020
8JLJ
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BU of 8jlj by Molmil
T1AM-bound mTAAR1-Gs protein complex
分子名称: 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
登録日2023-06-02
公開日2023-11-15
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLR
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BU of 8jlr by Molmil
A77636-bound hTAAR1-Gs protein complex
分子名称: (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
登録日2023-06-02
公開日2023-11-15
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLN
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BU of 8jln by Molmil
T1AM-bound hTAAR1-Gs protein complex
分子名称: 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
登録日2023-06-02
公開日2023-11-15
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLP
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BU of 8jlp by Molmil
Ralmitaront(RO-6889450)-bound hTAAR1-Gs protein complex
分子名称: 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide, Gs, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
登録日2023-06-02
公開日2023-11-15
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLQ
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BU of 8jlq by Molmil
Fenoldopam-bound hTAAR1-Gs protein complex
分子名称: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
登録日2023-06-02
公開日2023-11-15
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JSO
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BU of 8jso by Molmil
AMPH-bound hTAAR1-Gs protein complex
分子名称: (2S)-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
登録日2023-06-20
公開日2023-11-15
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLK
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BU of 8jlk by Molmil
Ulotaront(SEP-363856)-bound mTAAR1-Gs protein complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
登録日2023-06-02
公開日2023-11-15
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8JLO
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BU of 8jlo by Molmil
Ulotaront(SEP-363856)-bound hTAAR1-Gs protein complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
登録日2023-06-02
公開日2023-11-15
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JSP
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BU of 8jsp by Molmil
Ulotaront(SEP-363856)-bound Serotonin 1A (5-HT1A) receptor-Gi complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 5-hydroxytryptamine receptor 1A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
登録日2023-06-20
公開日2023-11-15
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
6TKE
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BU of 6tke by Molmil
ChiLob 7/4 H2 HC-C224S Kappa LC-C214S F(ab')2
分子名称: ChiLob 7/4 H2 heavy chain C224S, ChiLob 7/4 H2 kappa chain C214S
著者Orr, C.M, Fisher, H, Tews, I.
登録日2019-11-28
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKB
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BU of 6tkb by Molmil
ChiLob 7/4 H2 HC-C224S F(ab')2
分子名称: Chilob 7/4 H2 heavy chain C224S, Chilob 7/4 H2 kappa chain
著者Orr, C.M, Fisher, H, Tews, I.
登録日2019-11-28
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKF
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BU of 6tkf by Molmil
ChiLob 7/4 H2 HC-C225S KappaLC-C214S F(ab')2
分子名称: ChiLob 7/4 H2 Heavy chain C225S, ChiLob 7/4 H2 Kappa light chain C214S
著者Orr, C.M, Fisher, H, Tews, I.
登録日2019-11-28
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKC
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BU of 6tkc by Molmil
ChiLob 7/4 H2 HC-C225S F(ab')2
分子名称: Chilob 7/4 H2 heavy chain C225S, Chilob 7/4 H2 kappa chain
著者Orr, C.M, Fisher, H, Tews, I.
登録日2019-11-28
公開日2021-06-09
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKD
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BU of 6tkd by Molmil
ChiLob 7/4 H2 HC-C228S F(ab')2
分子名称: Chilob 7/4 H2 heavy chain C228S, Chilob 7/4 H2 kappa chain
著者Orr, C.M, Fisher, H, Tews, I.
登録日2019-11-28
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022

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