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6M17
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BU of 6m17 by Molmil
The 2019-nCoV RBD/ACE2-B0AT1 complex
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Guo, Y.Y, Zhou, Q.
登録日2020-02-24
公開日2020-03-11
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6IW5
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BU of 6iw5 by Molmil
Crystal structure of YFV-China sE in prefusion state
分子名称: Envelope protein
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IVZ
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BU of 6ivz by Molmil
Crystal structure of 5A ScFv complexed with YFV-China sE in postfusion state
分子名称: Envelope protein, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW1
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BU of 6iw1 by Molmil
Crystal structure of YFV-17D sE in postfusion state
分子名称: Envelope protein E
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
4HPH
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BU of 4hph by Molmil
The crystal structure of isomaltulose synthase mutant E295Q from Erwinia rhapontici NX5 in complex with its natural substrate sucrose
分子名称: CALCIUM ION, GLYCEROL, Sucrose isomerase, ...
著者Xu, Z, Li, S, Xu, H, Zhou, J.
登録日2012-10-23
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
Plos One, 8, 2013
4HOW
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BU of 4how by Molmil
The crystal structure of isomaltulose synthase from Erwinia rhapontici NX5
分子名称: CALCIUM ION, GLYCEROL, Sucrose isomerase
著者Xu, Z, Li, S, Xu, H, Zhou, J.
登録日2012-10-22
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
Plos One, 8, 2013
6IW4
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BU of 6iw4 by Molmil
Crystal structure of YFV-17D sE in prefusion state
分子名称: Envelope protein E
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
4HOZ
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BU of 4hoz by Molmil
The crystal structure of isomaltulose synthase mutant D241A from Erwinia rhapontici NX5 in complex with D-glucose
分子名称: CALCIUM ION, GLYCEROL, Sucrose isomerase, ...
著者Xu, Z, Li, S, Xu, H, Zhou, J.
登録日2012-10-23
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
Plos One, 8, 2013
6M18
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BU of 6m18 by Molmil
ACE2-B0AT1 complex
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
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2020-11-04
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
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
8ITE
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BU of 8ite by Molmil
Crystal structure of pE301R from African swine fever virus
分子名称: Uncharacterized protein E301R
著者Zhang, H, Li, Y.H.
登録日2023-03-22
公開日2023-09-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The E301R protein of African swine fever virus functions as a sliding clamp involved in viral genome replication.
Mbio, 14, 2023
2HNA
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BU of 2hna by Molmil
Solution Structure of a bacterial apo-flavodoxin
分子名称: Protein mioC
著者Hu, Y, Jin, C.
登録日2006-07-12
公開日2006-09-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structures and backbone dynamics of a flavodoxin MioC from Escherichia coli in both Apo- and Holo-forms: implications for cofactor binding and electron transfer
J.Biol.Chem., 281, 2006
8IV5
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BU of 8iv5 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV8
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BU of 8iv8 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IVA
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BU of 8iva by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV4
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BU of 8iv4 by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
1RU1
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BU of 1ru1 by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK(V83G/DEL84-89) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.40 ANGSTROM RESOLUTION (MONOCLINIC FORM)
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2003-12-10
公開日2004-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
分子名称: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-07-14
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
1RU2
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BU of 1ru2 by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E.COLI HPPK(V83G/DEL84-89) WITH MGAMPCPP AND 6-HYDROXYMETHYLPTERIN AT 1.48 ANGSTROM RESOLUTION (ORTHORHOMBIC FORM)
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN, CHLORIDE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2003-12-10
公開日2004-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004
6IW0
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BU of 6iw0 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in postfusion state
分子名称: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6CWA
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BU of 6cwa by Molmil
CRYSTAL STRUCTURE PHGDH IN COMPLEX WITH NADH AND 3-PHOSPHOGLYCERATE AT 1.77 A RESOLUTION
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-PHOSPHOGLYCERIC ACID, D-3-phosphoglycerate dehydrogenase
著者Davies, D.R, Edwards, T.E.
登録日2018-03-30
公開日2019-08-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
2HNB
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BU of 2hnb by Molmil
Solution Structure of a bacterial holo-flavodoxin
分子名称: Protein mioC
著者Hu, Y, Jin, C.
登録日2006-07-12
公開日2006-09-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structures and backbone dynamics of a flavodoxin MioC from Escherichia coli in both Apo- and Holo-forms: implications for cofactor binding and electron transfer
J.Biol.Chem., 281, 2006
6K9M
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BU of 6k9m by Molmil
Human LXR-beta in complex with an agonist
分子名称: Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate
著者Zhang, Z, Zhou, H.
登録日2019-06-16
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of novel liver X receptor inverse agonists as lipogenesis inhibitors.
Eur.J.Med.Chem., 206, 2020
3LHG
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BU of 3lhg by Molmil
Bace1 in complex with the aminohydantoin Compound 4g
分子名称: (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2010-01-22
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6LL9
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BU of 6ll9 by Molmil
Crystal structure of D-alanine-D-alanine ligase from Aeromonas hydrophila
分子名称: D-ALANINE, D-alanine--D-alanine ligase
著者Zhang, H.
登録日2019-12-22
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into the Inhibition ofAeromonas hydrophilad-Alanine-d-Alanine Ligase by Integration of Kinetics and Structural Analysis.
J.Agric.Food Chem., 68, 2020

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