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6VVD
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BU of 6vvd by Molmil
Legionella pneumophila Lpg2603 kinase bound to IP6
分子名称: Dot/Icm T4SS effector, INOSITOL HEXAKISPHOSPHATE
著者Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A.
登録日2020-02-17
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献ALegionellaeffector kinase is activated by host inositol hexakisphosphate.
J.Biol.Chem., 295, 2020
2ODT
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BU of 2odt by Molmil
Structure of human Inositol 1,3,4-trisphosphate 5/6-kinase
分子名称: Inositol-tetrakisphosphate 1-kinase
著者Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Hammarstrom, M, Holmberg, S.L, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Persson, C, Thorsell, A.G, Hallberg, B.M, Structural Genomics Consortium (SGC)
登録日2006-12-26
公開日2007-02-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure of human Inositol 1,3,4-trisphosphate 5/6-kinase
To be Published
6VZR
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BU of 6vzr by Molmil
Engineered TTLL6 bound to the initiation analog
分子名称: (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
登録日2020-02-28
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
4M3G
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BU of 4m3g by Molmil
Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
6W0F
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BU of 6w0f by Molmil
Closed-gate KcsA soaked in 0mM KCl/5mM BaCl2
分子名称: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W1X
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BU of 6w1x by Molmil
Cryo-EM structure of anti-CRISPR AcrIF9, bound to the type I-F crRNA-guided CRISPR surveillance complex
分子名称: CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, CRISPR-associated protein Csy3, ...
著者Hirschi, M, Santiago-Frangos, A, Wilkinson, R, Golden, S.M, Wiedenheft, B, Lander, G.
登録日2020-03-04
公開日2020-05-13
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献AcrIF9 tethers non-sequence specific dsDNA to the CRISPR RNA-guided surveillance complex.
Nat Commun, 11, 2020
7TR6
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BU of 7tr6 by Molmil
Cascade complex from type I-A CRISPR-Cas system
分子名称: Cas11a, Cas5a, Cas7a, ...
著者Hu, C, Ni, D, Nam, K.H, Majumdar, S, McLean, J, Stahlberg, H, Terns, M, Ke, A.
登録日2022-01-28
公開日2022-08-10
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric control of type I-A CRISPR-Cas3 complexes and establishment as effective nucleic acid detection and human genome editing tools.
Mol.Cell, 82, 2022
7UGG
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BU of 7ugg by Molmil
Cryo-EM structure of TRPV3 in complex with the anesthetic dyclonine
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Dyclonine, SODIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2022-03-24
公開日2022-06-08
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structural mechanism of TRPV3 channel inhibition by the anesthetic dyclonine.
Nat Commun, 13, 2022
7UZ0
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BU of 7uz0 by Molmil
AntiT-tRNA flip UCCA
分子名称: AntiT-tRNA flip UCCA, MAGNESIUM ION, STRONTIUM ION
著者Price, I.R, Grigg, J.C, Ke, A.
登録日2022-05-07
公開日2022-06-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献tRNA Fusion to Streamline RNA Structure Determination: Case Studies in Probing Aminoacyl-tRNA Sensing Mechanisms by the T-Box Riboswitch
Crystals, 12, 2022
7UW7
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BU of 7uw7 by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION
著者Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-05-02
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
To Be Published
6WGB
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BU of 6wgb by Molmil
Crystal structure of the fab portion of dupilumab
分子名称: Dupilumab Fab heavy chain, Dupilumab Fab light chain
著者Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J.
登録日2020-04-05
公開日2020-09-16
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
6WGG
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BU of 6wgg by Molmil
Atomic model of pre-insertion mutant OCCM-DNA complex(ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation)
分子名称: Cell division control protein 6, Cell division cycle protein CDT1, DNA (41-MER), ...
著者Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C.
登録日2020-04-05
公開日2020-07-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (8.1 Å)
主引用文献Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Proc.Natl.Acad.Sci.USA, 117, 2020
2P5U
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BU of 2p5u by Molmil
Crystal structure of Thermus thermophilus HB8 UDP-glucose 4-epimerase complex with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
著者Fu, Z.-Q, Chen, L, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Zhao, M, Dillard, B, Chrzas, J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-16
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of Thermus thermophilus HB8 UDP-glucose 4-epimerase complex with NAD
To be Published
3MTF
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BU of 3mtf by Molmil
Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor
分子名称: 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ...
著者Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
7UTN
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BU of 7utn by Molmil
IscB and wRNA bound to Target DNA
分子名称: DNA non-target strand, DNA target strand, IscB, ...
著者Schuler, G.A, Hu, C, Ke, A.
登録日2022-04-27
公開日2022-06-15
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Structural basis for RNA-guided DNA cleavage by IscB-omega RNA and mechanistic comparison with Cas9.
Science, 376, 2022
6X3T
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BU of 6x3t by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus propofol
分子名称: 2,6-BIS(1-METHYLETHYL)PHENOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E.
登録日2020-05-21
公開日2020-09-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
2P02
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BU of 2p02 by Molmil
Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2
分子名称: CHLORIDE ION, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-2
著者Papagrigoriou, E, Shafqat, N, Rojkova, A, Niessen, F.H, Kavanagh, K.L, von Delft, F, Gorrec, F, Ugochukwu, E, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-02-28
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2
To be Published
3MY0
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BU of 3my0 by Molmil
Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189
分子名称: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Serine/threonine-protein kinase receptor R3
著者Chaikuad, A, Alfano, I, Cooper, C, Mahajan, P, Daga, N, Sanvitale, C, Fedorov, O, Petrie, K, Savitsky, P, Gileadi, O, Sethi, R, Krojer, T, Muniz, J.R.C, Pike, A.C.W, Vollmar, M, Carpenter, C.P, Ugochukwu, E, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-05-08
公開日2010-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A small molecule targeting ALK1 prevents Notch cooperativity and inhibits functional angiogenesis.
Angiogenesis, 18, 2015
7UQ6
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BU of 7uq6 by Molmil
tRNA T-box antiterminator fusion, construct #4
分子名称: BARIUM ION, POTASSIUM ION, RNA (86-MER)
著者Grigg, J.C, Price, I.R, Ke, A.
登録日2022-04-19
公開日2022-06-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献tRNA Fusion to Streamline RNA Structure Determination: Case Studies in Probing Aminoacyl-tRNA Sensing Mechanisms by the T-Box Riboswitch
Crystals, 12, 2022
6WGC
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BU of 6wgc by Molmil
Atomic model of semi-attached mutant OCCM-DNA complex (ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation)
分子名称: Cell division control protein 6, DNA (41-MER), DNA replication licensing factor MCM3, ...
著者Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C.
登録日2020-04-05
公開日2020-07-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WGQ
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BU of 6wgq by Molmil
The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, CHLORIDE ION, ...
著者Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-06
公開日2020-04-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
To Be Published
6WNF
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BU of 6wnf by Molmil
The Crystal Structure of Apo Domain-Swapped Dimer Q108K:K40D:T53A:R58L:Q38F:Q4F:F57H Variant of HCRBPII
分子名称: ACETATE ION, GLYCEROL, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2020-04-22
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
2P35
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BU of 2p35 by Molmil
Crystal structure of trans-aconitate methyltransferase from Agrobacterium tumefaciens
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Trans-aconitate 2-methyltransferase
著者Chang, C, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-03-08
公開日2007-04-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of trans-aconitate methyltransferase from Agrobacterium tumefaciens
To be Published
6WT5
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BU of 6wt5 by Molmil
Structure of a bacterial STING receptor from Capnocytophaga granulosa
分子名称: Bacterial STING
著者Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J.
登録日2020-05-01
公開日2020-09-09
最終更新日2020-10-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献STING cyclic dinucleotide sensing originated in bacteria.
Nature, 586, 2020
4LRG
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BU of 4lrg by Molmil
Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide
分子名称: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4
著者Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
登録日2013-07-19
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013

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