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PDB: 40736 results

8SE9
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BU of 8se9 by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 2)
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8OF4
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BU of 8of4 by Molmil
Nucleosome Bound human SIRT6 (Composite)
Descriptor: DNA (145-MER), Histone H2A type 1, Histone H2B, ...
Authors:Smirnova, E, Bignon, E, Schultz, P, Papai, G, Ben-Shem, A.
Deposit date:2023-03-13
Release date:2023-08-09
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Binding to nucleosome poises human SIRT6 for histone H3 deacetylation.
Elife, 12, 2024
5IPF
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BU of 5ipf by Molmil
Crystal structure of Hypoxanthine-guanine phosphoribosyltransferase from Schistosoma mansoni in complex with IMP
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase (HGPRT), INOSINIC ACID
Authors:Romanello, L, Torini, J.R.S, Bird, L.E, Nettleship, J.E, Owens, R.J, DeMarco, R, Pereira, H.M, Brandao-Neto, J.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferases.
Mol. Biochem. Parasitol., 229, 2019
8ONN
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BU of 8onn by Molmil
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with 3-aminooxypropionic acid
Descriptor: 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV
Authors:Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O.
Deposit date:2023-04-03
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
6MA2
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BU of 6ma2 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor ent-1a
Descriptor: Host Cell Factor 1 peptide, N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Martin, S.E.S, Lazarus, M.B, Walker, S.
Deposit date:2018-08-25
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
6OPU
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BU of 6opu by Molmil
HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
6OPY
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BU of 6opy by Molmil
HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3
Authors:Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A.
Deposit date:2019-04-25
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Acs Chem.Biol., 14, 2019
7NCO
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BU of 7nco by Molmil
Glutathione-S-transferase GliG mutant K127R
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glutathione S-transferase GliG
Authors:Groll, M, Huber, E.M.
Deposit date:2021-01-29
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
6XAS
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BU of 6xas by Molmil
CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex
Descriptor: DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Hao, Z.T, Kim, H.K, Walz, T, Nudler, E.
Deposit date:2020-06-04
Release date:2020-12-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Pre-termination Transcription Complex: Structure and Function.
Mol.Cell, 81, 2021
6XJA
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BU of 6xja by Molmil
Streptococcus Pneumoniae IgA1 Protease with IgA1 substrate
Descriptor: Immunoglobulin A1 protease, Immunoglobulin alpha-1 heavy chain, Immunoglobulin alpha-1 light chain, ...
Authors:Eisenmesser, E.Z, Zheng, H.
Deposit date:2020-06-23
Release date:2021-01-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Mechanism and inhibition of Streptococcus pneumoniae IgA1 protease.
Nat Commun, 11, 2020
6UB4
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BU of 6ub4 by Molmil
Crystal structure (C2 form) of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritriose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCOSIDE HYDROLASE, ...
Authors:Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6EPK
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BU of 6epk by Molmil
CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ...
Authors:Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G.
Deposit date:2017-10-11
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex
Mbio, 2023
6M9H
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BU of 6m9h by Molmil
JAK2 JH2 in complex with diaminopyrimidine JAK040
Descriptor: 4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Puleo, D.E, Schlessinger, J, Jorgensen, W.L.
Deposit date:2018-08-23
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:JAK2 JH2 Binders
To Be Published
6MA5
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BU of 6ma5 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 1a
Descriptor: Host Cell Factor 1 peptide, N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Martin, S.E.S, Lazarus, M.B, Walker, S.
Deposit date:2018-08-25
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
5II1
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BU of 5ii1 by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one
Descriptor: 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Myrianthopoulos, V, Mikros, E, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-03-01
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
7NLY
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BU of 7nly by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-Chlorobenzimidazole.
Descriptor: 2-chloranyl-1~{H}-benzimidazole, Acetylglutamate kinase, SULFATE ION
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-22
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
5LNH
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BU of 5lnh by Molmil
Structure of full length Unliganded CodY from Bacillus subtilis
Descriptor: GTP-sensing transcriptional pleiotropic repressor CodY, SULFATE ION
Authors:Wilkinson, A.J, Levdikov, V.M, Blagova, E.V.
Deposit date:2016-08-04
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
J. Biol. Chem., 292, 2017
7NLT
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BU of 7nlt by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 4-(4-methylpiperazin-1-yl)benzoic acid
Descriptor: 4-(4-methylpiperazin-1-yl)benzoic acid, Acetylglutamate kinase, SULFATE ION
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-22
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.225 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NNB
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BU of 7nnb by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2,8-bis(trifluoromethyl)quinolin-4-ol.
Descriptor: 1,2-ETHANEDIOL, 2,8-bis(trifluoromethyl)quinolin-4-ol, Acetylglutamate kinase, ...
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-24
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.186 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NLR
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BU of 7nlr by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-phenyl-1H-imidazole
Descriptor: 2-phenyl-1H-imidazole, Acetylglutamate kinase, SULFATE ION
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-22
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
4XAJ
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BU of 4xaj by Molmil
Crystal structure of human NR2E1/TLX
Descriptor: Atrophin/grunge, Maltose-binding periplasmic protein,Nuclear receptor subfamily 2 group E member 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhi, X, Zhou, E, Xu, E.
Deposit date:2014-12-14
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.551 Å)
Cite:Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
7NLQ
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BU of 7nlq by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(isoxazol-5-yl)phenol
Descriptor: 2-(1,2-oxazol-5-yl)phenol, Acetylglutamate kinase, SULFATE ION
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-22
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NN8
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BU of 7nn8 by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1H-indole-3-carbonitrile.
Descriptor: 1,2-ETHANEDIOL, 1~{H}-indole-3-carbonitrile, Acetylglutamate kinase, ...
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-24
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.267 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
8T6I
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BU of 8t6i by Molmil
Structure of VHH-Fab complex with engineered Crystal Kappa region
Descriptor: Fab heavy chain, Fab light chain, GLYCEROL, ...
Authors:Filippova, E.V, Thompson, I, Kossiakoff, A.A.
Deposit date:2023-06-16
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
7NLN
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BU of 7nln by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with N-acetyl-glutamate
Descriptor: 1,2-ETHANEDIOL, Acetylglutamate kinase, N-ACETYL-L-GLUTAMATE
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-22
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021

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數據於2024-07-31公開中

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