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4X1S
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BU of 4x1s by Molmil
The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4
分子名称: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-10-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X1R
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BU of 4x1r by Molmil
The crystal structure of mupain-1-12 in complex with murinised human uPA at pH7.4
分子名称: 1-phenylguanidine, Urokinase-type plasminogen activator, mupain-1-12
著者Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
3V5Q
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BU of 3v5q by Molmil
Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models
分子名称: 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor
著者Kreusch, A.
登録日2011-12-16
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2001 Å)
主引用文献Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.
ACS Med Chem Lett, 3, 2012
3KME
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BU of 3kme by Molmil
Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor
分子名称: (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
3KMC
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BU of 3kmc by Molmil
Crystal structure of catalytic domain of TACE with tartrate-based inhibitor
分子名称: (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ...
著者Orth, P.
登録日2009-11-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
7RA8
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BU of 7ra8 by Molmil
SARS-CoV-2 S glycoprotein in complex with S2X259 Fab
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 Fab S2X259 Fab variable domain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-06-30
公開日2021-08-04
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
7RAL
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BU of 7ral by Molmil
SARS-CoV-2 S bound to S2X259 Fab (local refinement of the RBD/S2X259 variable domains)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X259 Fab heavy chain, S2X259 Fab light chain, ...
著者Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-07-01
公開日2021-08-04
最終更新日2021-09-15
実験手法ELECTRON MICROSCOPY
主引用文献Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
6LDZ
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BU of 6ldz by Molmil
Crystal structure of Rv0222 from Mycobacterium tuberculosis
分子名称: Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase)
著者Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H.
登録日2019-11-23
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Host-mediated ubiquitination of a mycobacterial protein suppresses immunity.
Nature, 577, 2020
7EY9
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BU of 7ey9 by Molmil
tail proteins
分子名称: Tail fiber protein, Tail tubular protein gp11, Tail tubular protein gp12
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EY7
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BU of 7ey7 by Molmil
bacteriophage T7 tail complex
分子名称: Internal virion protein gp14, Tail fiber protein, Tail tubular protein gp11, ...
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EY6
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BU of 7ey6 by Molmil
The portal protein (GP8) of bacteriophage T7
分子名称: Portal protein
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EY8
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BU of 7ey8 by Molmil
portal
分子名称: Portal protein
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EYB
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BU of 7eyb by Molmil
core proteins
分子名称: Internal virion protein gp14, Internal virion protein gp15, Peptidoglycan transglycosylase gp16
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7FEI
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BU of 7fei by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody R55
分子名称: Capsid protein VP0, IG HEAVY CHAIN VARIABLE REGION, IG LAMDA CHAIN VARIABLE REGION
著者He, Y, Li, K, Lou, Z.
登録日2021-07-20
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
7FEJ
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BU of 7fej by Molmil
Complex of FMDV A/AF/72 and bovine neutralizing scFv antibody R55
分子名称: A/AF/72 VP1, A/AF/72 VP2, A/AF/72 VP3, ...
著者He, Y, Li, K, Lou, Z.
登録日2021-07-20
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
7BXU
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BU of 7bxu by Molmil
CLC-7/Ostm1 membrane protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H(+)/Cl(-) exchange transporter 7, Osteopetrosis-associated transmembrane protein 1
著者Zhang, S.S, Yang, M.J.
登録日2020-04-20
公開日2020-09-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular insights into the human CLC-7/Ostm1 transporter.
Sci Adv, 6, 2020
1MB6
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BU of 1mb6 by Molmil
Three dimensional solution structure of huwentoxin-IV by 2D 1H-NMR
分子名称: huwentoxin-iv
著者Peng, K, Shu, Q, Liang, S.P.
登録日2002-08-02
公開日2002-08-21
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Function and solution structure of huwentoxin-IV, a potent neuronal tetrodotoxin (TTX)-sensitive sodium channel antagonist from Chinese bird spider Selenocosmia huwena
J.Biol.Chem., 277, 2002
7R6X
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BU of 7r6x by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ...
著者Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
登録日2021-06-23
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
分子名称: BICINE, Cytochrome P450, GLYCEROL, ...
著者Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-11-21
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
5IL0
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BU of 5il0 by Molmil
Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ...
著者Wang, X, Guan, Z, Zou, T, Yin, P.
登録日2016-03-04
公開日2016-05-25
最終更新日2016-06-29
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
5IL1
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BU of 5il1 by Molmil
Crystal structure of SAM-bound METTL3-METTL14 complex
分子名称: 1,2-ETHANEDIOL, METTL14, METTL3, ...
著者Wang, X, Guan, Z, Zou, T, Yin, P.
登録日2016-03-04
公開日2016-05-25
最終更新日2016-06-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
5IL2
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BU of 5il2 by Molmil
Crystal structure of SAH-bound METTL3-METTL14 complex
分子名称: 1,2-ETHANEDIOL, METTL14, METTL3, ...
著者Wang, X, Guan, Z, Zou, T, Yin, P.
登録日2016-03-04
公開日2016-05-25
最終更新日2016-06-29
実験手法X-RAY DIFFRACTION (1.606 Å)
主引用文献Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
3OQ7
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BU of 3oq7 by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
分子名称: HIV-1 Protease
著者Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
登録日2010-09-02
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
3OQA
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BU of 3oqa by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
分子名称: HIV-1 Protease
著者Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
登録日2010-09-02
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
3OQD
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BU of 3oqd by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
分子名称: HIV-1 Protease
著者Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
登録日2010-09-02
公開日2011-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011

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