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7E9Q
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BU of 7e9q by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-03-04
公開日2022-03-09
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9P
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BU of 7e9p by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(state2, local refinement of the RBD and 35B5 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-03-04
公開日2022-03-23
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
4RBZ
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BU of 4rbz by Molmil
X-ray structure of RNA containing adenosine phosphorodithioate
分子名称: 5'-R(*CP*GP*CP*GP*(A2M)P*(ADS)P*UP*UP*AP*GP*CP*G)-3'
著者Pallan, P.S, Egli, M.
登録日2014-09-13
公開日2015-09-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Crystal Structure, Stability and siRNA Activity of Phosphorodithioate-Modified RNAs
To be Published
7ENG
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BU of 7eng by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 (local refinement of the RBD and Fab30)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, Light chain of Fab30, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-04-16
公開日2022-04-06
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9N
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BU of 7e9n by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-03-04
公開日2022-04-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENF
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BU of 7enf by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30
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 Fab30, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-04-16
公開日2022-04-06
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7VVE
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BU of 7vve by Molmil
Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ...
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-05
公開日2022-03-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W44
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BU of 7w44 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-26
公開日2022-03-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7VVC
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BU of 7vvc by Molmil
Crystal structure of inactive mutant of leaf-branch compost cutinase variant
分子名称: ACETATE ION, ACETIC ACID, CALCIUM ION, ...
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-05
公開日2022-03-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W45
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BU of 7w45 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP
分子名称: CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-26
公開日2022-03-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W1N
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BU of 7w1n by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP
分子名称: 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-19
公開日2022-03-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
8JA8
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BU of 8ja8 by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY with trehalose bound in a closed liganded form
分子名称: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAC
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BU of 8jac by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-16
分子名称: N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAB
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BU of 8jab by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-06
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol, SULFATE ION, Trehalose-binding lipoprotein LpqY
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAD
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BU of 8jad by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17
分子名称: BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JA7
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BU of 8ja7 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis LpqY-SugABC in complex with trehalose
分子名称: Trehalose import ATP-binding protein SugC, Trehalose transport system permease protein SugA, Trehalose transport system permease protein SugB, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JA9
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BU of 8ja9 by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-03
分子名称: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-10-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAA
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BU of 8jaa by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-10-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YG1
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BU of 7yg1 by Molmil
Cryo-EM structure of the C-terminal domain of the human sodium-chloride cotransporter
分子名称: Solute carrier family 12 member 3
著者Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
登録日2022-07-09
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
7YG0
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BU of 7yg0 by Molmil
Cryo-EM structure of human sodium-chloride cotransporter
分子名称: Solute carrier family 12 member 3
著者Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
登録日2022-07-09
公開日2022-11-23
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
6NZR
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BU of 6nzr by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
分子名称: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
4GA7
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BU of 4ga7 by Molmil
Crystal structure of human serpinB1 mutant
分子名称: Leukocyte elastase inhibitor
著者Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
登録日2012-07-25
公開日2013-01-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4GAW
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BU of 4gaw by Molmil
Crystal structure of active human granzyme H
分子名称: CHLORIDE ION, Granzyme H, SULFATE ION
著者Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
登録日2012-07-25
公開日2013-01-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
6NZF
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BU of 6nzf by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
分子名称: 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.M.
登録日2019-02-13
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NZE
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BU of 6nze by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
分子名称: 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.M.
登録日2019-02-13
公開日2019-07-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019

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