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6QCL
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Citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase in complex with acetyl-CoA and L-malate
分子名称: (2S)-2-hydroxybutanedioic acid, ACETYL COENZYME *A, ATP-citrate lyase alpha-subunit, ...
著者Verstraete, K, Verschueren, K.
登録日2018-12-28
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
4RCF
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BU of 4rcf by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 4-fluoroxanthene inhibitor 49
分子名称: (4S)-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2014-09-15
公開日2014-12-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
5D8Q
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BU of 5d8q by Molmil
2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa
分子名称: ARSENIC, Ferroxidase, MAGNESIUM ION, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
3GDQ
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BU of 3gdq by Molmil
Crystal structure of the human 70kDa heat shock protein 1-like ATPase domain in complex with ADP and inorganic phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock 70 kDa protein 1-like, ...
著者Wisniewska, M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Siponen, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schueler, H, Structural Genomics Consortium (SGC)
登録日2009-02-24
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
6QFB
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BU of 6qfb by Molmil
Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, CITRATE ANION, ...
著者Verstraete, K, Verschueren, K.
登録日2019-01-09
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
5D8P
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BU of 5d8p by Molmil
2.35A resolution structure of iron bound BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
分子名称: ACETATE ION, FE (II) ION, Ferroxidase, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5A46
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BU of 5a46 by Molmil
FGFR1 in complex with dovitinib
分子名称: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ...
著者Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L.
登録日2015-06-05
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
7JMB
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BU of 7jmb by Molmil
Crystal structure of Nitrogenase iron-molybdenum cofactor biosynthesis enzyme NifB from Methanothermobacter thermautotrophicus with three Fe4S4 clusters
分子名称: IRON/SULFUR CLUSTER, Nitrogenase iron-molybdenum cofactor biosynthesis protein NifB
著者Kang, W, Rettberg, L, Ribbe, M.W, Hu, Y.
登録日2020-07-31
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-Ray Crystallographic Analysis of NifB with a Full Complement of Clusters: Structural Insights into the Radical SAM-Dependent Carbide Insertion During Nitrogenase Cofactor Assembly.
Angew.Chem.Int.Ed.Engl., 60, 2021
5AH3
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BU of 5ah3 by Molmil
Crystal structure of the Mep2 mutant R452D,S453D from Candida albicans
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, MEP2
著者van den Berg, B, Chembath, A, Rutherford, J.
登録日2015-02-04
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Mep2 Ammonium Transceptor Activation by Phosphorylation.
Nat.Commun., 7, 2016
5D8S
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BU of 5d8s by Molmil
2.55A resolution structure of BfrB (E85A) from Pseudomonas aeruginosa
分子名称: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8R
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BU of 5d8r by Molmil
2.50A resolution structure of BfrB (E81A) from Pseudomonas aeruginosa
分子名称: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8X
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BU of 5d8x by Molmil
1.50A resolution structure of BfrB (L68A E81A) from Pseudomonas aeruginosa
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Ferroxidase, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
6CU8
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BU of 6cu8 by Molmil
Alpha Synuclein fibril formed by full length protein - Twister Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6GCT
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BU of 6gct by Molmil
cryo-EM structure of the human neutral amino acid transporter ASCT2
分子名称: GLUTAMINE, Neutral amino acid transporter B(0)
著者Garaeva, A.A, Oostergetel, G.T, Gati, C, Guskov, A, Paulino, C, Slotboom, D.J.
登録日2018-04-19
公開日2018-06-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Cryo-EM structure of the human neutral amino acid transporter ASCT2.
Nat. Struct. Mol. Biol., 25, 2018
5D8O
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BU of 5d8o by Molmil
1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
分子名称: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5DFA
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BU of 5dfa by Molmil
3D structure of the E323A catalytic mutant of Gan42B, a GH42 beta-galactosidase from G. stearothermophilus
分子名称: Beta-galactosidase, GLYCEROL, ZINC ION
著者Solomon, H.V, Tabachnikov, O, Lansky, S, Feinberg, H, Govada, L, Chayen, N.E, Shoham, Y, Shoham, G.
登録日2015-08-26
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-function relationships in Gan42B, an intracellular GH42 beta-galactosidase from Geobacillus stearothermophilus.
Acta Crystallogr.,Sect.D, 71, 2015
5D8Y
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BU of 5d8y by Molmil
2.05A resolution structure of iron bound BfrB (L68A E81A) from Pseudomonas aeruginosa
分子名称: ACETATE ION, FE (II) ION, Ferroxidase, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5DLB
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BU of 5dlb by Molmil
Crystal structure of chaperone EspG3 of ESX-3 type VII secretion system from Mycobacterium marinum M
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, PLATINUM (II) ION, ...
著者Chan, S, Arbing, M.A, Kim, J, Kahng, S, Sawaya, M.R, Eisenberg, D.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-09-04
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems.
J. Mol. Biol., 431, 2019
6R1P
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BU of 6r1p by Molmil
EthR ligand complex
分子名称: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one, HTH-type transcriptional regulator EthR
著者Pohl, E, Tatum, N.
登録日2019-03-14
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019
6R1S
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BU of 6r1s by Molmil
EthR ligand complex
分子名称: 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide, HTH-type transcriptional regulator EthR
著者Pohl, E, Tatum, N.
登録日2019-03-14
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019
6CU7
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BU of 6cu7 by Molmil
Alpha Synuclein fibril formed by full length protein - Rod Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
5A1T
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BU of 5a1t by Molmil
Trichomonas vaginalis lactate dehydrogenase in complex with NADH and oxamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE, OXAMIC ACID
著者Steindel, P.A, Chen, E.H, Theobald, D.L.
登録日2015-05-05
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
8EKD
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BU of 8ekd by Molmil
Cryo-EM map of SARS-CoV-2 Omicron BA.2 spike in complex with 2130-1-0114-112
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab LLNL-199 HC, Fab LLNL-199 LC, ...
著者Binshtein, E, Crowe, J.E.
登録日2022-09-20
公開日2024-02-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Computationally restoring the potency of a clinical antibody against Omicron.
Nature, 629, 2024
8TMA
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BU of 8tma by Molmil
Antibody N3-1 bound to RBD in the up conformation
分子名称: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
著者Hsieh, C.-L, McLellan, J.S.
登録日2023-07-29
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023
8TM1
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BU of 8tm1 by Molmil
Antibody N3-1 bound to RBDs in the up and down conformations
分子名称: N3-1 Fab heavy chain, N3-1 Fab light chain, Spike glycoprotein
著者Hsieh, C.-L, McLellan, J.S.
登録日2023-07-27
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献SARS-COV-2 Omicron variants conformationally escape a rare quaternary antibody binding mode.
Commun Biol, 6, 2023

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