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8BCW
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BU of 8bcw by Molmil
Photosystem I assembly intermediate of Avena sativa
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Naschberger, A, Amunts, A, Nelson, N.
登録日2022-10-17
公開日2023-11-01
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (2.11 Å)
主引用文献Photosystem I assembly intermediate of Avena sativa
To Be Published
6FNK
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BU of 6fnk by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712
分子名称: 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6HMJ
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BU of 6hmj by Molmil
Structure of an RNA-binding Light-Oxygen-Voltage Receptor
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Ziegler, T, Moniot, S, Moeglich, A.
登録日2018-09-12
公開日2019-08-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献A blue light receptor that mediates RNA binding and translational regulation.
Nat.Chem.Biol., 15, 2019
5YFM
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BU of 5yfm by Molmil
Human isocitrate dehydrogenase 1 bound with NADP
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Nordlund, P, Chen, D, Jansson, A, Larsson, A.
登録日2017-09-21
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human isocitrate dehydrogenase 1 bound with NADP
To Be Published
6IN0
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BU of 6in0 by Molmil
Crystal structure of EphA3 in complex with 18-Crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CHLORIDE ION, Ephrin type-A receptor 3
著者Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
登録日2018-10-24
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
4Z08
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BU of 4z08 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 KE07 design
分子名称: de novo designed kemp eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-03-25
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 KE07 design
To Be Published
6RJC
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BU of 6rjc by Molmil
E.coli transketolase apoenzyme
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Rabe von Pappenheim, F, Tittmann, K.
登録日2019-04-26
公開日2019-09-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Low-barrier hydrogen bonds in enzyme cooperativity.
Nature, 573, 2019
7S3D
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BU of 7s3d by Molmil
Structure of photosystem I with bound ferredoxin from Synechococcus sp. PCC 7335 acclimated to far-red light
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2Fe-2S ferredoxin-type domain-containing protein, ...
著者Gisriel, C.J, Flesher, D.A, Shen, G, Wang, J, Ho, M, Brudvig, G.W, Bryant, D.A.
登録日2021-09-05
公開日2021-11-24
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Structure of a photosystem I-ferredoxin complex from a marine cyanobacterium provides insights into far-red light photoacclimation.
J.Biol.Chem., 298, 2021
7UGR
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BU of 7ugr by Molmil
Crystal structure of hyperfolder YFP
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyperfolder yellow fluorescent protein, ...
著者Campbell, B.C, Liu, C.F, Petsko, G.A.
登録日2022-03-25
公開日2022-10-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Chemically stable fluorescent proteins for advanced microscopy.
Nat.Methods, 19, 2022
8PE2
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BU of 8pe2 by Molmil
Crystal structure of Gel4 in complex with Nanobody 3
分子名称: 1,3-beta-glucanosyltransferase, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 3, ...
著者Macias-Leon, J, Redrado-Hernandez, S, Castro-Lopez, J, Sanz, A.B, Arias, M, Farkas, V, Vincke, C, Muyldermans, S, Pardo, J, Arroyo, J, Galvez, E, Hurtado-Guerrero, R.
登録日2023-06-13
公開日2024-06-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Broad Protection against Invasive Fungal Disease from a Nanobody Targeting the Active Site of Fungal beta-1,3-Glucanosyltransferases.
Angew.Chem.Int.Ed.Engl., 63, 2024
7VBF
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BU of 7vbf by Molmil
1.3 Angstrom Resolution Crystal Structure of SARS-CoV-2 Nucleocapsid dimerization domain, pH 8.5
分子名称: Nucleoprotein
著者Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-08-31
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献1.3 Angstrom Resolution Crystal Structure of SARS-CoV-2 Nucleocapsid dimerization domain, pH 8.5
To Be Published
6H2R
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BU of 6h2r by Molmil
Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase T157V/D181Q/A198L variant
分子名称: 1,2-ETHANEDIOL, 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase, GLYCEROL, ...
著者Crennell, S.J, Danson, M.J, Royer, S.
登録日2018-07-16
公開日2019-07-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.574 Å)
主引用文献Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase T157V/D181Q/A198L variant
To Be Published
8OTV
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BU of 8otv by Molmil
Crystal structure of NUDT14 complexed with novel compound
分子名称: 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC)
登録日2023-04-21
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
8BXX
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BU of 8bxx by Molmil
Crystal structure of formate dehydrogenase FDH2 enzyme from Granulicella mallensis MP5ACTX8 in complex with NAD and azide.
分子名称: 1,2-ETHANEDIOL, AZIDE ION, Formate dehydrogenase, ...
著者Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L.
登録日2022-12-10
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献From the amelioration of a NADP+-dependent formate dehydrogenase to the discovery of a new enzyme: round trip from theory to practice
ChemCatChem, 2020
4ZW0
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BU of 4zw0 by Molmil
Crystal structure of beta-Hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Candidatus asiaticum
分子名称: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
著者Wang, S, Gao, Z, Jiang, L, Dong, Y.H.
登録日2015-05-19
公開日2015-12-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Beta-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ) from Candidatus Liberibacter Asiaticum: Protein Characterization and Structural Modeling
Austin J Microbiol., 1, 2015
7V39
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BU of 7v39 by Molmil
Crystal structure of NP exonuclease-PCMB complex
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, Nucleoprotein, ZINC ION
著者Hsiao, Y.Y, Huang, K.W.
登録日2021-08-10
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeted Covalent Inhibitors Allosterically Deactivate the DEDDh Lassa Fever Virus NP Exonuclease from Alternative Distal Sites.
Jacs Au, 1, 2021
4Y75
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BU of 4y75 by Molmil
Yeast 20S proteasome in complex with Ac-PAF-ep
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PAF-ep, CHLORIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2015-02-13
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
4Y81
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BU of 4y81 by Molmil
Yeast 20S proteasome in complex with Ac-PAY-ep
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PAY-ep, CHLORIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2015-02-16
公開日2015-06-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
5Y4N
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BU of 5y4n by Molmil
Crystal structure of aerobically purified and anaerobically crystallized D. vulgaris Miyazaki F [NiFe]-hydrogenase
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Nishikawa, K, Mochida, S, Hiromoto, T, Shibata, N, Higuchi, Y.
登録日2017-08-04
公開日2018-08-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Ni-elimination from the active site of the standard [NiFe]‐hydrogenase upon oxidation by O2.
J.Inorg.Biochem., 177, 2017
7VC6
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BU of 7vc6 by Molmil
The structure of beta-xylosidase from Phanerochaete chrysosporium(PcBxl3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, xylan 1,4-beta-xylosidase
著者Kojima, K, Sunagawa, N, Igarashi, K.
登録日2021-09-01
公開日2022-02-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Comparison of glycoside hydrolase family 3 beta-xylosidases from basidiomycetes and ascomycetes reveals evolutionarily distinct xylan degradation systems.
J.Biol.Chem., 298, 2022
8AUE
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BU of 8aue by Molmil
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
分子名称: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
6IS2
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BU of 6is2 by Molmil
Crystal Structure of Staphylococcus aureus response regulator ArlR receiver domain in complex with Mg
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, IMIDAZOLE, MAGNESIUM ION, ...
著者Wen, Y, Ouyang, Z.
登録日2018-11-15
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Deciphering the activation and recognition mechanisms of Staphylococcus aureus response regulator ArlR.
Nucleic Acids Res., 47, 2019
6I4P
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BU of 6i4p by Molmil
Crystal structure of the disease-causing G194C mutant of the human dihydrolipoamide dehydrogenase
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
著者Szabo, E, Wilk, P, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
登録日2018-11-10
公開日2019-11-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
5M1I
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BU of 5m1i by Molmil
Structure of GH36 alpha-galactosidase from Thermotoga maritima in a covalent complex with a cyclopropyl carbasugar.
分子名称: (1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, Alpha-galactosidase, ...
著者Pengelly, R, Gloster, T.
登録日2016-10-07
公開日2016-11-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
6I59
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BU of 6i59 by Molmil
Long wavelength native-SAD phasing of Sen1 helicase
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M.
登録日2018-11-13
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019

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