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7KTQ
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BU of 7ktq by Molmil
Nucleosome from a dimeric PRC2 bound to a nucleosome
Descriptor: 601 DNA (167-MER), Histone H2A, Histone H2B, ...
Authors:Grau, D.J, Armache, K.J.
Deposit date:2020-11-24
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: Cyclolavandulyl diphosphate synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION
Authors:Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-09-23
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.047 Å)
Cite: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
Descriptor: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
Authors:Jiang, H, Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite: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
Descriptor: Receptor-interacting serine/threonine-protein kinase 2
Authors:Wu, B, Gong, Q.
Deposit date:2017-11-09
Release date:2018-11-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite: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
Descriptor: 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
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite: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
Descriptor: Cyclolavandulyl diphosphate synthase
Authors:Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-09-23
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.648 Å)
Cite: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
Descriptor: 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
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2016-10-13
Release date:2017-07-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.591 Å)
Cite: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.
Descriptor: Glycine cleavage system H protein
Authors: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)
Deposit date:2009-07-25
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Dihydrodipicolinate synthase
Authors:Stogios, P.J, Xu, X, Savchenko, A.
Deposit date:2015-07-31
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CB6 heavy chain, CB6 light chain, ...
Authors:Shi, R, Qi, J, Wang, Q, Gao, F.G, Yan, J.
Deposit date:2020-04-29
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite: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
Descriptor: Cys regulon transcriptional activator, GLYCEROL
Authors:Yang, C, Liang, H, Gan, J.
Deposit date:2018-01-18
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.401 Å)
Cite: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
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Wen, W.H, Tang, G.L.
Deposit date:2020-03-31
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Short chain dehydrogenase
Authors:Wen, W.H, Tang, G.L.
Deposit date:2020-04-02
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08311653 Å)
Cite: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
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Ren, J.Q, Li, W, Huo, L, Feng, W.
Deposit date:2015-09-02
Release date:2015-12-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: ACETYL COENZYME *A, BROMIDE ION, CHLORIDE ION, ...
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-10-16
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Cys regulon transcriptional activator, GLYCEROL, SULFATE ION
Authors:Yang, C, Liang, H, Gan, J.
Deposit date:2018-01-15
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.206 Å)
Cite: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
Descriptor: SULFATE ION, Transcriptional regulator CysB
Authors:Yang, C, Liang, H, Gan, J.
Deposit date:2018-01-15
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.053 Å)
Cite: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
Descriptor: DIMETHYLALLYL DIPHOSPHATE, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:"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
Descriptor: Neutralizing antibody COV44-62 heavy chain, Neutralizing antibody COV44-62 light chain, Spike protein S2 fusion peptide
Authors:Yuan, M, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-05-31
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ...
Authors:Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A.
Deposit date:2022-06-13
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide
Authors:Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A.
Deposit date:2022-06-06
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Staker, B.L, Rathod, P, Hunter, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-23
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: Thiosulfate sulfurtransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-17
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite: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
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ...
Authors:Grau, D.J, Armache, K.J.
Deposit date:2020-11-23
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021

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數據於2024-10-09公開中

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