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7KTQ
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BU of 7ktq by Molmil
Nucleosome from a dimeric PRC2 bound to a nucleosome
分子名称: 601 DNA (167-MER), Histone H2A, Histone H2B, ...
著者Grau, D.J, Armache, K.J.
登録日2020-11-24
公開日2021-02-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
5YGK
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BU of 5ygk by Molmil
Crystal structure of a synthase from Streptomyces sp. CL190 with dmaspp
分子名称: Cyclolavandulyl diphosphate synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION
著者Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-09-23
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes.
Acs Catalysis, 8, 2018
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
分子名称: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
著者Jiang, H, Luo, C.
登録日2017-07-21
公開日2017-11-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
5YRN
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BU of 5yrn by Molmil
Structure of RIP2 CARD domain
分子名称: Receptor-interacting serine/threonine-protein kinase 2
著者Wu, B, Gong, Q.
登録日2017-11-09
公開日2018-11-14
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of RIP2 activation and signaling.
Nat Commun, 9, 2018
5CF4
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BU of 5cf4 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
分子名称: N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Sack, J.S.
登録日2015-07-08
公開日2015-08-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5YGJ
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BU of 5ygj by Molmil
Crystal structure of a synthase from Streptomyces sp. CL190
分子名称: Cyclolavandulyl diphosphate synthase
著者Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-09-23
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes.
Acs Catalysis, 8, 2018
5CF6
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BU of 5cf6 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
分子名称: N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Sack, J.S.
登録日2015-07-08
公開日2015-08-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5H21
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BU of 5h21 by Molmil
Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4
分子名称: 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4
著者Zhang, H, Luo, C.
登録日2016-10-13
公開日2017-07-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
3IFT
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BU of 3ift by Molmil
Crystal structure of glycine cleavage system protein H from Mycobacterium tuberculosis, using X-rays from the Compact Light Source.
分子名称: Glycine cleavage system H protein
著者Edwards, T.E, Abendroth, J, Staker, B, Mayer, C, Phan, I, Kelley, A, Analau, E, Leibly, D, Rifkin, J, Loewen, R, Ruth, R.D, Stewart, L.J, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2009-07-25
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure determination of the glycine cleavage system protein H of Mycobacterium tuberculosis using an inverse Compton synchrotron X-ray source.
J.Struct.Funct.Genom., 11, 2010
5CZJ
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BU of 5czj by Molmil
Crystal structure of HypD, a 1-pyrroline-4-hydroxy-2-carboxylate deaminase from Sinorhizobium meliloti
分子名称: Dihydrodipicolinate synthase
著者Stogios, P.J, Xu, X, Savchenko, A.
登録日2015-07-31
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献l-Hydroxyproline and d-Proline Catabolism in Sinorhizobium meliloti.
J.Bacteriol., 198, 2016
7C01
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BU of 7c01 by Molmil
Molecular basis for a potent human neutralizing antibody targeting SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CB6 heavy chain, CB6 light chain, ...
著者Shi, R, Qi, J, Wang, Q, Gao, F.G, Yan, J.
登録日2020-04-29
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献A human neutralizing antibody targets the receptor-binding site of SARS-CoV-2.
Nature, 584, 2020
5Z4Y
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BU of 5z4y by Molmil
Crystal structure of PaCysB NTD domain with space group P4
分子名称: Cys regulon transcriptional activator, GLYCEROL
著者Yang, C, Liang, H, Gan, J.
登録日2018-01-18
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
7BSX
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BU of 7bsx by Molmil
SDR protein NapW-NADP
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
著者Wen, W.H, Tang, G.L.
登録日2020-03-31
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reductive inactivation of the hemiaminal pharmacophore for resistance against tetrahydroisoquinoline antibiotics.
Nat Commun, 12, 2021
7BTM
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BU of 7btm by Molmil
SDR protein/resistance protein NapW
分子名称: Short chain dehydrogenase
著者Wen, W.H, Tang, G.L.
登録日2020-04-02
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08311653 Å)
主引用文献Reductive inactivation of the hemiaminal pharmacophore for resistance against tetrahydroisoquinoline antibiotics.
Nat Commun, 12, 2021
5DJO
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BU of 5djo by Molmil
Crystal structure of the CC1-FHA tandem of Kinesin-3 KIF13A
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Ren, J.Q, Li, W, Huo, L, Feng, W.
登録日2015-09-02
公開日2015-12-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural Correlation of the Neck Coil with the Coiled-coil (CC1)-Forkhead-associated (FHA) Tandem for Active Kinesin-3 KIF13A
J.Biol.Chem., 291, 2016
3K9U
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BU of 3k9u by Molmil
Crystal structure of paia acetyltransferase (ta0374) from thermoplasma acidophilum
分子名称: ACETYL COENZYME *A, BROMIDE ION, CHLORIDE ION, ...
著者Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2009-10-16
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
5Z50
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BU of 5z50 by Molmil
Crystal structure of PaCysB regulatory domain
分子名称: Cys regulon transcriptional activator, GLYCEROL, SULFATE ION
著者Yang, C, Liang, H, Gan, J.
登録日2018-01-15
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
5Z4Z
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BU of 5z4z by Molmil
Crystal structure of PaCysB NTD domain with space group C2
分子名称: SULFATE ION, Transcriptional regulator CysB
著者Yang, C, Liang, H, Gan, J.
登録日2018-01-15
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
5XK9
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BU of 5xk9 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GSPP and DMAPP
分子名称: DIMETHYLALLYL DIPHOSPHATE, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
8D36
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BU of 8d36 by Molmil
Crystal structure of SARS-CoV-2 fusion peptide in complex with neutralizing antibody COV44-62
分子名称: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
著者Yuan, M, Lee, C.C.D, Wilson, I.A.
登録日2022-05-31
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8DAO
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BU of 8dao by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79
分子名称: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
著者Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
登録日2022-06-13
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
8D6Z
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BU of 8d6z by Molmil
Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27
分子名称: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
著者Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
登録日2022-06-06
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
3HZG
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BU of 3hzg by Molmil
Crystal structure of mycobacterium tuberculosis thymidylate synthase X bound with FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ...
著者Staker, B.L, Rathod, P, Hunter, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-06-23
公開日2009-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3HWI
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BU of 3hwi by Molmil
Crystal structure of probable thiosulfate sulfurtransferase Cysa2 (Rhodanese-like protein) from Mycobacterium tuberculosis
分子名称: Thiosulfate sulfurtransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-06-17
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7KSO
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BU of 7kso by Molmil
Cryo-EM structure of PRC2:EZH1-AEBP2-JARID2
分子名称: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ...
著者Grau, D.J, Armache, K.J.
登録日2020-11-23
公開日2021-02-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021

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