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8SSJ
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BU of 8ssj by Molmil
Room-temperature X-ray structure of human mitochondrial serine hydroxymethyltransferase (hSHMT2)
分子名称: CHLORIDE ION, Serine hydroxymethyltransferase, mitochondrial
著者Drago, V.N, Kovalevsky, A.
登録日2023-05-08
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023
4ZE9
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BU of 4ze9 by Molmil
Se-PBP AccA from A. tumefaciens C58 in complex with agrocinopine A
分子名称: 2-O-phosphono-alpha-L-arabinopyranose, ABC transporter substrate-binding protein, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者El Sahili, A, Guimaraes, B.G, Morera, S.
登録日2015-04-20
公開日2015-08-19
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
8SUI
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BU of 8sui by Molmil
Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state with L-Ser bound in a pre-Michalis complex
分子名称: SERINE, SULFATE ION, Serine hydroxymethyltransferase
著者Drago, V.N, Kovalevsky, A.
登録日2023-05-12
公開日2023-08-16
最終更新日2023-11-15
実験手法NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023
8SSY
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BU of 8ssy by Molmil
Room-temperature X-ray structure of Thermus thermophilus serine hydroxymethyltransferase (SHMT) bound with D-Ser in a pseudo-Michaelis complex
分子名称: D-SERINE, SULFATE ION, Serine hydroxymethyltransferase
著者Drago, V.N, Kovalevsky, A.
登録日2023-05-09
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023
7BWO
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BU of 7bwo by Molmil
Consensus chitin binding protein
分子名称: Chitin binding beak protein 3
著者Mohanram, H, Miserez, A.
登録日2020-04-15
公開日2021-04-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of a consensus chitin-binding domain revealed by solution NMR.
J.Struct.Biol., 213, 2021
7BWE
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Consensus Chitin binding domain
分子名称: Chitin binding beak protein 3
著者Mohanram, H, Miserez, A.
登録日2020-04-14
公開日2021-04-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of a consensus chitin-binding domain revealed by solution NMR.
J.Struct.Biol., 213, 2021
6QUS
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BU of 6qus by Molmil
HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule
分子名称: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-02-28
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
5DM7
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BU of 5dm7 by Molmil
Crystal structure of the 50S ribosomal subunit from Deinococcus radiodurans in complex with hygromycin A
分子名称: 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
著者Kaminishi, T, Schedlbauer, A, Ochoa-Lizarralde, B, Connell, S.R, Fucini, P.
登録日2015-09-08
公開日2015-11-11
最終更新日2015-11-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic characterization of the ribosomal binding site and molecular mechanism of action of Hygromycin A.
Nucleic Acids Res., 43, 2015
5DRS
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BU of 5drs by Molmil
Crystal structure of human carbonic anhydraseisozyme II with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2015-09-16
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
4ZED
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BU of 4zed by Molmil
PBP AccA from A. tumefaciens C58 in complex with agrocinopine-3'-O-benzoate
分子名称: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
著者El Sahili, A, Morera, S.
登録日2015-04-20
公開日2015-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
7R01
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BU of 7r01 by Molmil
BAZ2A bromodomain in complex with N-acetylpiperazine derivative fragment 18
分子名称: 1,2-ETHANEDIOL, 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine, Bromodomain adjacent to zinc finger domain protein 2A, ...
著者Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
登録日2022-02-01
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QZT
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BU of 7qzt by Molmil
BAZ2A bromodomain in complex with isoquinoline derivative fragment 9
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
著者Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
登録日2022-01-31
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.183 Å)
主引用文献Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7R0B
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BU of 7r0b by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 47
分子名称: 1,2-ETHANEDIOL, 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A, ...
著者Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
登録日2022-02-01
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.345 Å)
主引用文献Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
5DOH
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BU of 5doh by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
分子名称: 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2015-09-11
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
7U0R
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BU of 7u0r by Molmil
Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A.
登録日2022-02-18
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non-alpha-amino acids in vitro and in vivo.
Nat.Chem., 15, 2023
6R85
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BU of 6r85 by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-glutamate
分子名称: 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate receptor 3.3,Glutamate receptor 3.3, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-03-31
公開日2020-01-01
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
6R8A
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BU of 6r8a by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-methionine
分子名称: Glutamate receptor 3.3,Glutamate receptor 3.3, METHIONINE, SODIUM ION, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-04-01
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
7ACD
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BU of 7acd by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a)
分子名称: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2020-09-10
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes.
Chemmedchem, 16, 2021
4K8C
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BU of 4k8c by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ADP
分子名称: ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-04-18
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ADP
To be Published
4K93
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CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE
分子名称: ADENOSINE, DIMETHYL SULFOXIDE, N-(hydroxymethyl)benzamide, ...
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-04-19
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE
To be Published
4KBE
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BU of 4kbe by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with benzoguanamine
分子名称: 6-phenyl-1,3,5-triazine-2,4-diamine, ADENOSINE, DIMETHYL SULFOXIDE, ...
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-04-23
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with benzoguanamine
To be Published
4K8T
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BU of 4k8t by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ethyl 3,4-diaminobenzoate
分子名称: ADENOSINE, DIMETHYL SULFOXIDE, POTASSIUM ION, ...
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-04-18
公開日2013-05-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ethyl 3,4-diaminobenzoate
To be Published
7RR7
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BU of 7rr7 by Molmil
Multidrug efflux pump subunit AcrB
分子名称: DODECANE, Multidrug efflux pump subunit AcrB, PHOSPHATIDYLETHANOLAMINE
著者Trinh, T.K.H, Cabezas, A, Catalano, C, Qiu, W, des Georges, A, Guo, Y.
登録日2021-08-09
公開日2022-08-17
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Multidrug efflux pump subunit AcrB
To Be Published
7RR8
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Multidrug efflux pump subunit AcrB
分子名称: DODECANE, Multidrug efflux pump subunit AcrB, PHOSPHATIDYLETHANOLAMINE
著者Trinh, T.K.H, Cabezas, A, Catalano, C, Qiu, W, des Georges, A, Guo, Y.
登録日2021-08-09
公開日2022-08-17
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Multidrug efflux pump subunit AcrB
To Be Published
7RR6
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Multidrug efflux pump subunit AcrB
分子名称: DODECANE, Multidrug efflux pump subunit AcrB, PHOSPHATIDYLETHANOLAMINE
著者Trinh, T.K.H, Cabezas, A, Catalano, C, Qiu, W, des Georges, A, Guo, Y.
登録日2021-08-09
公開日2022-08-17
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Multidrug efflux pump subunit AcrB
To Be Published

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