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7OO5
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BU of 7oo5 by Molmil
Crystal structure of the lignin peroxidase (ApeLiP) from Agrocybe pediades
分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ...
著者Romero, A, Ruiz-Duenas, F.J.
登録日2021-05-26
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Agaricales Mushroom Lignin Peroxidase: From Structure-Function to Degradative Capabilities.
Antioxidants, 10, 2021
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7V3Z
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BU of 7v3z by Molmil
Structure of cannabinoid receptor type 1(CB1)
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ...
著者Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J.
登録日2021-08-12
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1.
J.Am.Chem.Soc., 143, 2021
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
4K7P
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BU of 4k7p by Molmil
Generation and Characterization of a Unique Reagent that Recognizes a Panel of Recombinant Human Monoclonal Antibody Therapeutics in the Presence of Endogenous Human IgG
分子名称: antibody 10C4 Fab fragment heavy chain, antibody 10C4 Fab fragment light chain, antibody rhumAb6 Fab fragment heavy chain, ...
著者Eigenbrot, C, Shia, S.
登録日2013-04-17
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Generation and characterization of a unique reagent that recognizes a panel of recombinant human monoclonal antibody therapeutics in the presence of endogenous human IgG.
MAbs, 5, 2013
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
8T7I
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BU of 8t7i by Molmil
Structure of the S1CE variant of Fab F1 (FabS1CE-F1)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, S1CE variant of Fab F1 heavy chain, ...
著者Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
登録日2023-06-20
公開日2023-11-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7G
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BU of 8t7g by Molmil
Structure of the CK variant of Fab F1 (FabC-F1)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CK variant of Fab F1 heavy chain, ...
著者Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
登録日2023-06-20
公開日2023-11-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7F
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BU of 8t7f by Molmil
Structure of the S1 variant of Fab F1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S1 variant of Fab F1 heavy chain, S1 variant of Fab F1 light chain, ...
著者Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
登録日2023-06-20
公開日2023-11-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6ZWJ
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BU of 6zwj by Molmil
Neisseria gonorrhoeae transaldolase at 1.35 Angstrom resolution
分子名称: CITRIC ACID, GLYCEROL, Transaldolase
著者Rabe von Pappenheim, F, Wensien, M, Sautner, V, Tittmann, K.
登録日2020-07-28
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
6ZWF
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BU of 6zwf by Molmil
Neisseria gonorrhoeae transaldolase
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, CITRIC ACID, ...
著者Rabe von Pappenheim, F, Wensien, M, Funk, L.-M, Sautner, V, Tittmann, K.
登録日2020-07-28
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
6ZX4
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BU of 6zx4 by Molmil
Neisseria gonorrhoeae transaldolase
分子名称: CITRIC ACID, GLYCEROL, Transaldolase
著者Sautner, V, Rabe von Pappenheim, F, Wensien, M, Tittmann, K.
登録日2020-07-29
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
6ZWH
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BU of 6zwh by Molmil
Neisseria gonorrhoeae transaldolase at 1.5 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Rabe von Pappenheim, F, Wensien, M, Funk, L.-M, Sautner, V, Tittmann, K.
登録日2020-07-28
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
8G8C
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BU of 8g8c by Molmil
Crystal structure of DH1322.1 Fab in complex with HIV proximal MPER peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1322.1 heavy chain, DH1322.1 light chain, ...
著者Niyongabo, A, Janus, B.M, Ofek, G.
登録日2023-02-17
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
7VV9
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BU of 7vv9 by Molmil
Crystal Structure of HRas(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zheng, Y.Y, Zhou, C.
登録日2021-11-05
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VVG
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BU of 7vvg by Molmil
Crystal Structure of HRasG12V(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zheng, Y.Y, Zhou, C.
登録日2021-11-06
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
6OQI
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BU of 6oqi by Molmil
CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine)
分子名称: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2
著者Murray, J.M.
登録日2019-04-26
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
7VV8
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BU of 7vv8 by Molmil
Crystal Structure of HRasQ61L(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zheng, Y.Y, Zhou, C.
登録日2021-11-04
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
3LQR
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BU of 3lqr by Molmil
Structure of CED-4:CED-3 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION
著者Qi, S, Pang, Y, Shi, Y, Yan, N.
登録日2010-02-09
公開日2010-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.896 Å)
主引用文献Crystal structure of the Caenorhabditis elegans apoptosome reveals an octameric assembly of CED-4.
Cell(Cambridge,Mass.), 141, 2010
7VVB
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BU of 7vvb by Molmil
Crystal Structure of KRas4A(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Zheng, Y.Y, Zhou, C.
登録日2021-11-05
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
8TBP
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BU of 8tbp by Molmil
HLA-DRB1*15:01 in complex with smith antigen
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Ting, Y.T, Broury, A, Ooi, J.
登録日2023-06-29
公開日2024-02-21
実験手法X-RAY DIFFRACTION (3.12621117 Å)
主引用文献Smith-specific regulatory T cells halt the progression of lupus nephritis.
Nat Commun, 15, 2024
6LBH
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BU of 6lbh by Molmil
Cryo-EM structure of the MgtE Mg2+ channel under Mg2+-free conditions
分子名称: Fab heavy chain, Fab light chain, Magnesium transporter MgtE
著者Hattori, M, Jin, F.
登録日2019-11-14
公開日2021-04-14
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The structure of MgtE in the absence of magnesium provides new insights into channel gating.
Plos Biol., 19, 2021

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