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5FFA
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BU of 5ffa by Molmil
CopM (with an N-terminal His-tag) in the apo form
分子名称: CopM
著者Zhao, S, Wang, X, Liu, L.
登録日2015-12-18
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016
7DV4
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BU of 7dv4 by Molmil
Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4
分子名称: 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4
著者Li, H, Gan, X, He, Y.
登録日2021-01-12
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile.
Proc.Natl.Acad.Sci.USA, 119, 2022
6KAB
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BU of 6kab by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 2
分子名称: (3~{S})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
著者Zhou, J, Fang, P.
登録日2019-06-21
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
5FFC
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BU of 5ffc by Molmil
CopM in the Cu(II)-bound form
分子名称: COPPER (II) ION, CopM, SULFATE ION
著者Zhao, S, Wang, X, Liu, L.
登録日2015-12-18
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.007 Å)
主引用文献Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016
5VGW
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BU of 5vgw by Molmil
RNA hairpin structure containing tetraloop/receptor motif
分子名称: RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*CP*CP*CP*GP*AP*AP*AP*GP*G)-3'), RNA (5'-R(P*GP*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3')
著者Zhang, W, Szostak, J.W.
登録日2017-04-11
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
6KA6
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BU of 6ka6 by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 1
分子名称: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, GLYCEROL, LYSINE, ...
著者Zhou, J, Fang, P.
登録日2019-06-21
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
6KCN
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BU of 6kcn by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 4
分子名称: 3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one, GLYCEROL, LYSINE, ...
著者Zhou, J, Fang, P.
登録日2019-06-28
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
8J5X
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BU of 8j5x by Molmil
The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.09192252 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J5W
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BU of 8j5w by Molmil
The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28041458 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J61
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BU of 8j61 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05065274 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J63
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BU of 8j63 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.0005 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
6ULX
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BU of 6ulx by Molmil
Adenylation domain of a keto acid-selecting NRPS module bound to keto acyl adenylate space group P43212
分子名称: 5'-O-{(S)-hydroxy[(4-methyl-2-oxopentanoyl)oxy]phosphoryl}adenosine, Amino acid adenylation domain-containing protein, SULFATE ION
著者Alonzo, D.A, Chiche-Lapierre, C, Schmeing, T.M.
登録日2019-10-08
公開日2020-02-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
5WNR
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BU of 5wnr by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者DeMirci, H.
登録日2017-08-01
公開日2018-02-21
最終更新日2020-10-21
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
6ULZ
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BU of 6ulz by Molmil
Adenylation domain of the initiation module of LgrA mutant P483M
分子名称: 3-METHYL-2-OXOBUTANOIC ACID, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, FORMIC ACID, ...
著者Chiche-Lapierre, C, Alonzo, D.A, Schmeing, T.M.
登録日2019-10-08
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
5FFD
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BU of 5ffd by Molmil
CopM in the Ag-bound form (by co-crystallization)
分子名称: CopM, SILVER ION
著者Zhao, S, Wang, X, Liu, L.
登録日2015-12-18
公開日2016-09-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM.
Acta Crystallogr D Struct Biol, 72, 2016
6KCT
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BU of 6kct by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 5
分子名称: 3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one, LYSINE, Lysine--tRNA ligase
著者Zhou, J, Fang, P.
登録日2019-06-29
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
5WNT
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BU of 5wnt by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: (1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside, 16S Ribosomal RNA rRNA, MAGNESIUM ION, ...
著者DeMirci, H.
登録日2017-08-01
公開日2018-02-21
最終更新日2020-10-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
5WQE
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BU of 5wqe by Molmil
Crystal structure of Alicyclobacillus acidoterrestris C2c1 in complex with single-guide RNA at 3.1 Angstrom resolution
分子名称: CRISPR-associated endonuclease C2c1, RNA (60-MER)
著者Liu, L, Wang, Y.L.
登録日2016-11-26
公開日2017-01-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3.126 Å)
主引用文献C2c1-sgRNA Complex Structure Reveals RNA-Guided DNA Cleavage Mechanism
Mol. Cell, 65, 2017
5WI8
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BU of 5wi8 by Molmil
Crystal structure of murine 4-1BB from HEK293T cells in P21 space group
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zajonc, D.M, Bitra, A.
登録日2017-07-18
公開日2017-12-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of murine 4-1BB and its interaction with 4-1BBL support a role for galectin-9 in 4-1BB signaling.
J. Biol. Chem., 293, 2018
7F65
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BU of 7f65 by Molmil
Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid
分子名称: BENZOIC ACID, Cocaine esterase, SULFATE ION
著者Ouyang, P.F, Zhang, Y, Tong, J.
登録日2021-06-24
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase.
Angew.Chem.Int.Ed.Engl., 60, 2021
6KBF
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BU of 6kbf by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 3
分子名称: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Zhou, J, Fang, P.
登録日2019-06-24
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
5LQT
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BU of 5lqt by Molmil
RNA duplex has central consecutive GA pairs flanked by G-C basepairs
分子名称: CALCIUM ION, MAGNESIUM ION, RNA (5'-R(*GP*(CBV)P*CP*GP*GP*(6MZ)P*CP*GP*GP*C)-3'), ...
著者Huang, L, Lilley, D.M.J.
登録日2016-08-17
公開日2017-06-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
6K9P
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BU of 6k9p by Molmil
Structure of Deubiquitinase
分子名称: Ubiquitin, Ubiquitin thioesterase
著者Lu, L.N, Liu, L, Wang, F.
登録日2019-06-17
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
1T96
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BU of 1t96 by Molmil
r106g kdo8ps with pep
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ...
著者Gatti, D.L.
登録日2004-05-14
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
5USL
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BU of 5usl by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv304
分子名称: Fab vv304 Heavy chain, Fab vv304 Light chain, IMV membrane protein
著者Zajonc, D.M.
登録日2017-02-13
公開日2017-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018

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