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4DJU
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BU of 4dju by Molmil
Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one
Descriptor: (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Cumming, J.
Deposit date:2012-02-02
Release date:2012-03-21
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
4DJX
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BU of 4djx by Molmil
Structure of BACE Bound to 5-(3-(5-chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
Descriptor: (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Cumming, J.
Deposit date:2012-02-02
Release date:2012-03-21
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
2FB8
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BU of 2fb8 by Molmil
Structure of the B-Raf kinase domain bound to SB-590885
Descriptor: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, B-Raf proto-oncogene serine/threonine-protein kinase
Authors:Lougheed, J.C, Lee, J, Chau, D.C, Stout, T.J.
Deposit date:2005-12-08
Release date:2006-12-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885.
Cancer Res., 66, 2006
2QLH
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BU of 2qlh by Molmil
mPlum I65L mutant
Descriptor: Fluorescent protein plum
Authors:Shu, X, Remington, S.J.
Deposit date:2007-07-12
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies of Far-Red Emission in mPlum, a Monomeric Red Fluorescent Protein
To be Published
2QLG
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BU of 2qlg by Molmil
mPlum
Descriptor: Fluorescent protein plum
Authors:Shu, X, Remington, S.J.
Deposit date:2007-07-12
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Studies of Far-Red Emission in mPlum, a Monomeric Red Fluorescent Protein
To be Published
2QLI
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BU of 2qli by Molmil
mPlum E16Q mutant
Descriptor: Fluorescent protein plum
Authors:Shu, X, Remington, S.J.
Deposit date:2007-07-12
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural Studies of Far-Red Emission in mPlum, a Monomeric Red Fluorescent Protein
To be Published
3CJF
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BU of 3cjf by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
Descriptor: N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
Authors:Nolte, R.T.
Deposit date:2008-03-12
Release date:2008-10-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
6URM
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BU of 6urm by Molmil
Crystal structure of vaccine-elicited receptor-binding site targeting antibody LPAF-a.01 in complex with Hemagglutinin H1 A/California/04/2009
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhou, T, Cheung, S.F, Kwong, P.D.
Deposit date:2019-10-23
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification and Structure of a Multidonor Class of Head-Directed Influenza-Neutralizing Antibodies Reveal the Mechanism for Its Recurrent Elicitation.
Cell Rep, 32, 2020
4E20
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BU of 4e20 by Molmil
Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor
Descriptor: N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
Deposit date:2012-03-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor.
Bmc Struct.Biol., 12, 2012
5W9J
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BU of 5w9j by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: G4 VH, G4 VL, Spike glycoprotein
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9P
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BU of 5w9p by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: G4 VH, G4 VL, Spike glycoprotein
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9M
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BU of 5w9m by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: G4 VH, G4 VL, Spike glycoprotein
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9I
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BU of 5w9i by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G4 VH, ...
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9O
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BU of 5w9o by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: G4 VH, G4 VL, Spike glycoprotein
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9L
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BU of 5w9l by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: G4 VH, G4 VL, Spike glycoprotein
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9H
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BU of 5w9h by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G4 VH, ...
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4LTS
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BU of 4lts by Molmil
Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ...
Authors:Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W.
Deposit date:2013-07-23
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4LWW
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BU of 4lww by Molmil
Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Descriptor: 1,2-ETHANEDIOL, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W.
Deposit date:2013-07-28
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6LB9
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BU of 6lb9 by Molmil
Magnesium ion-bound SspB crystal structure
Descriptor: DUF4007 domain-containing protein, MAGNESIUM ION
Authors:Liqiong, L, Yubing, Z.
Deposit date:2019-11-13
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
5WO1
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BU of 5wo1 by Molmil
Chaperone Spy H96L bound to Im7 L18A L19A L37A (Im7 un-modeled)
Descriptor: CHLORIDE ION, GLUTAMIC ACID, IMIDAZOLE, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5WO3
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BU of 5wo3 by Molmil
Chaperone Spy bound to Im7 (Im7 un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
6LH8
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BU of 6lh8 by Molmil
Structure of aerolysin-like protein (Bombina maxima)
Descriptor: aerolysin-like protein
Authors:Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
Deposit date:2019-12-07
Release date:2020-06-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
6LHZ
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BU of 6lhz by Molmil
Structure of aerolysin-like protein (Bombina maxima)
Descriptor: aerolysin-like protein
Authors:Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
Deposit date:2019-12-10
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
Descriptor: BA7054 fab, BA7125 fab, Spike glycoprotein
Authors:Liu, Z, Liu, S.
Deposit date:2022-03-26
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
Descriptor: BA7125 fab, BA7208 fab, Spike glycoprotein
Authors:Liu, Z, Liu, S, Liu, S.
Deposit date:2022-03-26
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023

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数据于2024-10-09公开中

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