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3TX2
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BU of 3tx2 by Molmil
Structure of a Probable 6-phosphogluconolactonase from Mycobacterium abscessus
分子名称: BENZOIC ACID, GLYCEROL, Probable 6-phosphogluconolactonase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-09-22
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3TRR
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BU of 3trr by Molmil
Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-09-09
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QB0
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BU of 3qb0 by Molmil
Crystal structure of Actin-related protein Arp4 from S. cerevisiae complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 4, CALCIUM ION
著者Fenn, S, Breitsprecher, D, Gerhold, C.B, Witte, G, Faix, J, Hopfner, K.P.
登録日2011-01-12
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.404 Å)
主引用文献Structural biochemistry of nuclear actin-related proteins 4 and 8 reveals their interaction with actin.
Embo J., 30, 2011
3QK8
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BU of 3qk8 by Molmil
Crystal structure of enoyl-coA hydratase EchA15 from Mycobacterium marinum in complex with an unknown ligand
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Enoyl-CoA hydratase EchA15, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-31
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QIV
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BU of 3qiv by Molmil
Crystal structure of a putative short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier-protein] reductase from Mycobacterium paratuberculosis ATCC BAA-968 / K-10
分子名称: short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier-protein] reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-27
公開日2011-02-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3Q8N
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BU of 3q8n by Molmil
Crystal structure of 4-aminobutyrate transaminase from Mycobacterium smegmatis
分子名称: 4-aminobutyrate transaminase, 4-oxobutanoic acid
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-06
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QK2
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BU of 3qk2 by Molmil
Structure-Based Analysis of the Interaction between the Simian Virus 40 T-Antigen Origin Binding Domain and Single-Stranded DNA
分子名称: Large T antigen, THIOCYANATE ION
著者Meinke, G, Bullock, P.A, Bohm, A.
登録日2011-01-31
公開日2011-02-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.643 Å)
主引用文献Structure-based analysis of the interaction between the simian virus 40 T-antigen origin binding domain and single-stranded DNA.
J.Virol., 85, 2011
3QKA
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BU of 3qka by Molmil
Crystal structure of enoyl-CoA hydratase EchA5 from Mycobacterium marinum
分子名称: Enoyl-CoA hydratase, EchA5
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-31
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3TZQ
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BU of 3tzq by Molmil
Crystal structure of a short-chain type dehydrogenase/reductase from Mycobacterium marinum
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-09-27
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6QFU
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BU of 6qfu by Molmil
Human carbonic anhydrase II with bound IrCp* complex (cofactor 7) to generate an artificial transfer hydrogenase (ATHase)
分子名称: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ...
著者Rebelein, J.G.
登録日2019-01-10
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
6QFX
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BU of 6qfx by Molmil
Human carbonic anhydrase II with bound IrCp* complex (cofactor 10) to generate an artificial transfer hydrogenase (ATHase)
分子名称: 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, SULFATE ION, ...
著者Rebelein, J.G.
登録日2019-01-10
公開日2019-04-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
6QS5
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BU of 6qs5 by Molmil
Crystal Structure of maize CK2 in complex with tyrphostin AG99
分子名称: (~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide, Casein kinase II subunit alpha
著者Lolli, G, Mazzorana, M, Battistutta, R.
登録日2019-02-20
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
6QZO
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BU of 6qzo by Molmil
Crystal structure of DyP-type peroxidase from Cellulomonas bogoriensis
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Peroxidase, TRIETHYLENE GLYCOL
著者Rozeboom, H.J, Fraaije, M.W.
登録日2019-03-12
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization of a New DyP-Peroxidase from the Alkaliphilic Cellulomonad, Cellulomonas bogoriensis.
Molecules, 24, 2019
6QXD
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BU of 6qxd by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with JKB inhibitor in the active site.
分子名称: (2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone, COPPER (II) ION, Tyrosinase
著者Deri Zenaty, B, Gitto, R, Pazy, Y, Fishman, A.
登録日2019-03-07
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.317 Å)
主引用文献Exploiting the 1-(4-fluorobenzyl)piperazine fragment for the development of novel tyrosinase inhibitors as anti-melanogenic agents: Design, synthesis, structural insights and biological profile.
Eur.J.Med.Chem., 178, 2019
1BWW
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BU of 1bww by Molmil
BENCE-JONES IMMUNOGLOBULIN REI VARIABLE PORTION, T39K MUTANT
分子名称: PROTEIN (IG KAPPA CHAIN V-I REGION REI)
著者Uson, I, Pohl, E, Schneider, T.R, Dauter, Z, Schmidt, A, Fritz, H.J, Sheldrick, G.M.
登録日1998-09-29
公開日1998-10-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.7 A structure of the stabilized REIv mutant T39K. Application of local NCS restraints.
Acta Crystallogr.,Sect.D, 55, 1999
1BYQ
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BU of 1byq by Molmil
HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (HEAT SHOCK PROTEIN 90)
著者Russo, A.A, Pavletich, N.P.
登録日1998-10-19
公開日1998-10-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In vivo function of Hsp90 is dependent on ATP binding and ATP hydrolysis.
J.Cell Biol., 143, 1998
4YT3
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BU of 4yt3 by Molmil
CYP106A2
分子名称: ACETATE ION, Cytochrome P450(MEG), PROTOPORPHYRIN IX CONTAINING FE
著者janocha, S, carius, y, bernhardt, r, lancaster, c.r.d.
登録日2015-03-17
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of CYP106A2 in Substrate-Free and Substrate-Bound Form.
Chembiochem, 17, 2016
4ZN8
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BU of 4zn8 by Molmil
Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants
分子名称: POTASSIUM ION, computationally modified engrailed homeodomain
著者Huang, P.-S, Thomas, L.M, Mayo, S.L.
登録日2015-05-04
公開日2015-05-27
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
5WQ6
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BU of 5wq6 by Molmil
Crystal Structure of hMNDA-PYD with MBP tag
分子名称: 1,2-ETHANEDIOL, ACETATE ION, MBP tagged hMNDA-PYD, ...
著者Jin, T.C, Xiao, T.S.
登録日2016-11-23
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.648 Å)
主引用文献Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017
5WDI
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BU of 5wdi by Molmil
Structure of Human Sts-2 histidine phosphatase domain
分子名称: SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein A
著者Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B.
登録日2017-07-05
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
分子名称: TNA-containing RNA oligonucleotide
著者Harp, J.M, Egli, M.
登録日2023-04-20
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
8SWL
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BU of 8swl by Molmil
Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum
分子名称: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
著者Mohamed, H.A, Bruning, J.B, Bell, S.G.
登録日2023-05-19
公開日2024-03-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 754, 2024
8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
著者Bangaru, B, Ward, A.
登録日2023-05-18
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
8T62
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BU of 8t62 by Molmil
Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
分子名称: Designed peptide BH21
著者McShan, A.C, Torres, M.P.
登録日2023-06-15
公開日2023-06-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T63
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BU of 8t63 by Molmil
Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
分子名称: Designed peptide PH1
著者McShan, A.C, Torres, M.P.
登録日2023-06-15
公開日2023-06-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024

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