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5FOZ
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BU of 5foz by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 10
分子名称: LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2015-11-26
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
6XKW
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BU of 6xkw by Molmil
R. capsulatus CIII2CIV bipartite super-complex (SC-2A) with CcoH/cy
分子名称: COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP, Cytochrome b, ...
著者Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F.
登録日2020-06-27
公開日2020-12-30
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
6XKX
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BU of 6xkx by Molmil
R. capsulatus CIII2CIV tripartite super-complex, conformation A (SC-1A)
分子名称: COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP,Cytochrome c-type cyt cy, Cytochrome b, ...
著者Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F.
登録日2020-06-27
公開日2020-12-30
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
6XXC
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BU of 6xxc by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Estrogen Related Receptor gamma phosphopeptide, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-01-27
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6XD4
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BU of 6xd4 by Molmil
CDC-like protein
分子名称: ACETATE ION, Hemolysin, SODIUM ION
著者Morton, C.J, Parker, M.W, Lawrence, S.L, Johnstone, B.A, Tweten, R.K.
登録日2020-06-09
公開日2021-04-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Key Motif in the Cholesterol-Dependent Cytolysins Reveals a Large Family of Related Proteins.
Mbio, 11, 2020
6XQ6
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BU of 6xq6 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 11
分子名称: 3-phenoxyphenol, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ3
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BU of 6xq3 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-(((3-(4-Carboxyphenoxy)benzyl)oxy)methyl)phenyl)-1H-indole-2-carboxylic acid
分子名称: 3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ8
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BU of 6xq8 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 11
分子名称: 3-phenoxyphenol, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ5
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BU of 6xq5 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 1
分子名称: 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ7
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BU of 6xq7 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 5
分子名称: 5-bromo-3-methyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ9
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BU of 6xq9 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 13
分子名称: 4-(3-hydroxyphenoxy)benzoic acid, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ1
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BU of 6xq1 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-((4-(4-carboxyphenoxy)benzyl)oxy)phenyl)-1H-indole-2-carboxylic acid
分子名称: 3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQV
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BU of 6xqv by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae in a pre-acylation complex with ceftriaxone
分子名称: CHLORIDE ION, Ceftriaxone, Probable peptidoglycan D,D-transpeptidase PenA, ...
著者Fenton, B.A, Zhou, P, Davies, C.
登録日2020-07-10
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQZ
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BU of 6xqz by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 7.5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidoglycan D,D-transpeptidase PenA, ...
著者Fenton, B.A, Zhou, P, Davies, C.
登録日2020-07-10
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQY
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BU of 6xqy by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 9.5
分子名称: CHLORIDE ION, Probable peptidoglycan D,D-transpeptidase PenA
著者Fenton, B.A, Zhou, P, Davies, C.
登録日2020-07-10
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQX
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BU of 6xqx by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5
分子名称: 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION
著者Fenton, B.A, Zhou, P, Davies, C.
登録日2020-07-10
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
4KBL
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BU of 4kbl by Molmil
Structure of HHARI, a RING-IBR-RING ubiquitin ligase: autoinhibition of an Ariadne-family E3 and insights into ligation mechanism
分子名称: E3 ubiquitin-protein ligase ARIH1, ZINC ION
著者Duda, D.M, Olszewski, J.L, Schulman, B.A.
登録日2013-04-23
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of HHARI, a RING-IBR-RING Ubiquitin Ligase: Autoinhibition of an Ariadne-Family E3 and Insights into Ligation Mechanism.
Structure, 21, 2013
6Y3W
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BU of 6y3w by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1
分子名称: 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-02-19
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
4LCD
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BU of 4lcd by Molmil
Structure of an Rsp5xUbxSna3 complex: Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3
分子名称: E3 ubiquitin-protein ligase RSP5, Protein SNA3, Ubiquitin
著者Kamadurai, H.B, Miller, D, Schulman, B.A.
登録日2013-06-21
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3.
Elife, 2, 2013
6Y1D
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BU of 6y1d by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (DBD) phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Estrogen related receptor gamma phosphopeptide, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-02-12
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6Y58
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BU of 6y58 by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (LBD) phosphopeptide
分子名称: 14-3-3 protein sigma, Estrogen Related Receptor gamma phosphopeptide, MAGNESIUM ION
著者Somsen, B.A, Sijbesma, E, Leijten-van de Gevel, I.A, Ottmann, C.
登録日2020-02-25
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6Y18
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BU of 6y18 by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3
分子名称: 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-02-11
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2016-04-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
5HPK
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BU of 5hpk by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1
分子名称: E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1
著者Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A.
登録日2016-01-20
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.431 Å)
主引用文献System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPT
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BU of 5hpt by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1, Ubv P2.3 and UBCH7
分子名称: NEDD4-like E3 ubiquitin-protein ligase WWP1, Ubiquitin variant P2.3, Ubiquitin-conjugating enzyme E2 L3
著者Wu, K.-P, Schulman, B.A.
登録日2016-01-20
公開日2016-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016

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