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4WBQ
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BU of 4wbq by Molmil
Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing.
分子名称: CALCIUM ION, QDE-2-interacting protein
著者Boland, A, Weinert, T, Weichenrieder, O, Wang, M.
登録日2014-09-03
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4W99
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BU of 4w99 by Molmil
Apo-structure of the Y79F,W322E-double mutant of Etr1p
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ...
著者Quade, N, Voegeli, B, Rosenthal, R, Erb, T.J.
登録日2014-08-27
公開日2015-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
4WBX
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BU of 4wbx by Molmil
Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
分子名称: 2-keto acid:ferredoxin oxidoreductase subunit alpha
著者Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2014-09-04
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAU
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BU of 4wau by Molmil
Crystal structure of CENP-M solved by native-SAD phasing
分子名称: Centromere protein M
著者Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M.
登録日2014-09-01
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAB
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BU of 4wab by Molmil
Crystal structure of mPGES1 solved by native-SAD phasing
分子名称: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
著者Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
登録日2014-08-29
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAS
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BU of 4was by Molmil
STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX
分子名称: CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, ...
著者Quade, N, Voegeli, B, Rosenthal, R, Capitani, G, Erb, T.J.
登録日2014-08-31
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
3IIF
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BU of 3iif by Molmil
Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form B)
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1
著者Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K.
登録日2009-07-31
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
3IID
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BU of 3iid by Molmil
Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form A)
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1, ...
著者Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K.
登録日2009-07-31
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
5LCB
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BU of 5lcb by Molmil
In situ atomic-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo electron microscopy and polarization spectroscopy
分子名称: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll c-binding protein
著者Nielsen, J.T, Kulminskaya, N.V, Bjerring, M, Linnanto, J.M, Ratsep, M, Pedersen, M, Lambrev, P.H, Dorogi, M, Garab, G, Thomsen, K, Jegerschold, C, Frigaard, N.U, Lindahl, M, Nielsen, N.C.
登録日2016-06-20
公開日2016-07-27
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (26.5 Å), SOLID-STATE NMR
主引用文献In situ high-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum.
Nat Commun, 7, 2016
3CNR
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BU of 3cnr by Molmil
Crystal Structure of PilZ (XAC1133) from Xanthomonas axonopodis pv citri
分子名称: Type IV fimbriae assembly protein
著者Guzzo, C.R, Farah, C.S.
登録日2008-03-26
公開日2009-03-31
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献PILZ protein structure and interactions with PILB and the FIMX EAL domain: implications for control of type IV pilus biogenesis.
J.Mol.Biol., 393, 2009
5HNQ
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BU of 5hnq by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
分子名称: 5fC modified RNA
著者Luo, Z, Sheng, J.
登録日2016-01-18
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
7B52
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BU of 7b52 by Molmil
VAR2CSA full ectodomain
分子名称: Erythrocyte membrane protein 1
著者Wang, K.T, Gourdon, P.E, Dagil, R, Salanti, A.
登録日2020-12-03
公開日2021-04-21
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
7B62
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BU of 7b62 by Molmil
Crystal structure of SARS-CoV-2 spike protein N-terminal domain in complex with biliverdin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, DI(HYDROXYETHYL)ETHER, ...
著者Pye, V.E, Rosa, A, Roustan, C, Cherepanov, P.
登録日2020-12-07
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
7B54
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BU of 7b54 by Molmil
VAR2CSA full ectodomain in present of plCS, DBL1-DBL4
分子名称: VAR2CSA in presence of plCS, DBl1-DBL4,Erythrocyte membrane protein 1
著者Wang, K.T, Dagil, R, Gourdon, P.E, Salanti, A.
登録日2020-12-03
公開日2021-06-02
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
5HN2
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BU of 5hn2 by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
分子名称: RNA (5'-R(*GP*UP*AP*(OFC)P*GP*UP*AP*C)-3'), SODIUM ION
著者Luo, Z.P, Sheng, J.
登録日2016-01-18
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
5HNJ
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BU of 5hnj by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
分子名称: RNA (5'-R(*GP*UP*AP*(OFC)P*GP*UP*AP*C)-3'), SODIUM ION
著者Luo, Z.P, Sheng, J.
登録日2016-01-18
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
8R8E
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BU of 8r8e by Molmil
DYRK1a in Complex with 2-Cyclopentyl-7-iodo-1H-indole-3-carbonitrile
分子名称: 1,2-ETHANEDIOL, 2-cyclopentyl-7-iodanyl-1~{H}-indole-3-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Stahlecker, J, Dammann, M, Stehle, T, Boeckler, F.M.
登録日2023-11-29
公開日2024-09-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Halogen Bonding on Water─A Drop in the Ocean?
J Chem Theory Comput, 2024
4EJX
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BU of 4ejx by Molmil
Structure of ceruloplasmin-myeloperoxidase complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Ceruloplasmin, ...
著者Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B, Bartunik, H.
登録日2012-04-07
公開日2013-04-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.69 Å)
主引用文献Ceruloplasmin: macromolecular assemblies with iron-containing acute phase proteins.
Plos One, 8, 2013
4EZM
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BU of 4ezm by Molmil
Crystal structure of the human IgE-Fc(epsilon)3-4 bound to its B cell receptor derCD23
分子名称: Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, alpha-D-mannopyranose, ...
著者Dhaliwal, B, Yuan, D, Sutton, B.J.
登録日2012-05-03
公開日2012-07-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of IgE bound to its B-cell receptor CD23 reveals a mechanism of reciprocal allosteric inhibition with high affinity receptor Fc{varepsilon}RI.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ENZ
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BU of 4enz by Molmil
Structure of human ceruloplasmin at 2.6 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ...
著者Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B, Bartunik, H.
登録日2012-04-13
公開日2013-04-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ceruloplasmin: macromolecular assemblies with iron-containing acute phase proteins.
Plos One, 8, 2013
7QAR
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BU of 7qar by Molmil
Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature
分子名称: (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase
著者Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A.
登録日2021-11-17
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
7R9C
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BU of 7r9c by Molmil
Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
著者Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-06-29
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXS
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BU of 7rxs by Molmil
Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
分子名称: 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4
著者Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-23
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXT
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BU of 7rxt by Molmil
Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
分子名称: 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4
著者Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-23
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXR
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BU of 7rxr by Molmil
Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
分子名称: 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
著者Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-23
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022

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