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3VN9
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BU of 3vn9 by Molmil
Rifined Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state
Descriptor: 9-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine, Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION
Authors:Kinoshita, T, Matsuzaka, H, Nakai, R, Kirii, Y, Yokota, K, Tada, T, Matsumoto, T.
Deposit date:2012-01-05
Release date:2012-02-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of non-phosphorylated MAP2K6 in a putative auto-inhibition state
J.Biochem., 151, 2012
1GPM
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BU of 1gpm by Molmil
ESCHERICHIA COLI GMP SYNTHETASE COMPLEXED WITH AMP AND PYROPHOSPHATE
Descriptor: ADENOSINE MONOPHOSPHATE, CITRIC ACID, GMP SYNTHETASE, ...
Authors:Tesmer, J.J.G.
Deposit date:1995-04-04
Release date:1996-01-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of GMP synthetase reveals a novel catalytic triad and is a structural paradigm for two enzyme families.
Nat.Struct.Biol., 3, 1996
6KV3
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BU of 6kv3 by Molmil
Crystal Structure of NAD+ Synthetase from Staphylococcus aureus
Descriptor: NH(3)-dependent NAD(+) synthetase
Authors:Nasrin, S.K, Sandeep, S.K.
Deposit date:2019-09-03
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic and molecular dynamics simulation analysis of NAD synthetase from methicillin resistant Staphylococcus aureus (MRSA).
Int.J.Biol.Macromol., 165, 2020
5T3O
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BU of 5t3o by Molmil
Crystal structure of the Phosphorybosylpyrophosphate synthetase II from Thermus thermophilus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ribose-phosphate pyrophosphokinase, SULFATE ION
Authors:Timofeev, V.I, Sinitsyna, E.V, Abramchik, Y.A, Kostromina, M.A, Esipov, R.S, Kuranova, I.P.
Deposit date:2016-08-26
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of recombinant phosphoribosylpyrophosphate synthetase 2 from Thermus thermophilus HB27 complexed with ADP and sulfate ions.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6V3R
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BU of 6v3r by Molmil
Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2019-11-26
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6LW8
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BU of 6lw8 by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: (4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, DNA ligase A, GLYCEROL, ...
Authors:Ramachandran, R, Afsar, M, Shukla, A.
Deposit date:2020-02-07
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A.
J.Struct.Biol., 213, 2021
5GO3
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BU of 5go3 by Molmil
Crystal structure of a di-nucleotide cyclase Vibrio mutant
Descriptor: Cyclic GMP-AMP synthase
Authors:Ming, Z.H, Wang, W, Xie, Y.C, Chen, Y.C, Yan, L.M, Lou, Z.Y.
Deposit date:2016-07-26
Release date:2016-11-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a di-nucleotide cyclase Vibrio mutant
To Be Published
5Y6L
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BU of 5y6l by Molmil
A subcomplex crystal structure of human cytosolic aspartyl-tRNA synthetase and heterotetrameric glutathione transferase-homology domains in multi-tRNA synthetase complex
Descriptor: Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, Aspartate--tRNA ligase, cytoplasmic, ...
Authors:Cho, H.Y, Lee, H.J, Kang, B.S.
Deposit date:2017-08-12
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A subcomplex crystal structure of human cytosolic aspartyl-tRNA synthetase and heterotetrameric glutathione transferase-homology domains in multi-tRNA synthetase complex
To be published
6KJM
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BU of 6kjm by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ...
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-07-22
Release date:2020-07-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A.
J.Struct.Biol., 213, 2021
6KKV
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BU of 6kkv by Molmil
Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
Descriptor: DNA ligase A, N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide, SULFATE ION
Authors:Ramachandran, R, Shukla, A, Afsar, M.
Deposit date:2019-07-27
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A.
J.Struct.Biol., 213, 2021
3RV2
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BU of 3rv2 by Molmil
Crystal structure of S-adenosylmethionine synthetase from Mycobacterium marinum
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-05
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
8GK8
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BU of 8gk8 by Molmil
R21A Staphylococcus aureus pyruvate carboxylase
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, COENZYME A, ...
Authors:Laseke, A.J, St.Maurice, M.
Deposit date:2023-03-17
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Allosteric Site at the Biotin Carboxylase Dimer Interface Mediates Activation and Inhibition in Staphylococcus aureus Pyruvate Carboxylase.
Biochemistry, 62, 2023
6NAK
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BU of 6nak by Molmil
BACTERIAL PROTEIN COMPLEX TM BDE complex
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, TsaE, ...
Authors:Stec, B.
Deposit date:2018-12-05
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery of the Universal tRNA Binding Mode for the TsaD-like Components of the t6A tRNA Modification Pathway
Biophysica, 3, 2023
7Q8E
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BU of 7q8e by Molmil
Crystal Structure of the MurT-GatD Enzyme Complex from Staphylococcus aureus COL strain
Descriptor: CHLORIDE ION, Lipid II isoglutaminyl synthase (glutamine-hydrolyzing) subunit GatD, Lipid II isoglutaminyl synthase (glutamine-hydrolyzing) subunit MurT, ...
Authors:Leisico, F, Romao, M.J, Santos-Silva, T.
Deposit date:2021-11-11
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.90001726 Å)
Cite:Crystal Structure of the MurT-GatD Enzyme Complex from Staphylococcus aureus COL strain
To Be Published
5JA2
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BU of 5ja2 by Molmil
EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the non-Native MbtH-Like Protein PA2412
Descriptor: 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine, Enterobactin synthase component F, MbtH-Like Protein PA2412, ...
Authors:Miller, B.R, Gulick, A.M.
Deposit date:2016-04-11
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of a Nonribosomal Peptide Synthetase Module Bound to MbtH-like Proteins Support a Highly Dynamic Domain Architecture.
J.Biol.Chem., 291, 2016
3BG5
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BU of 3bg5 by Molmil
Crystal Structure of Staphylococcus Aureus Pyruvate Carboxylase
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Xiang, S, Tong, L.
Deposit date:2007-11-26
Release date:2008-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of human and Staphylococcus aureus pyruvate carboxylase and molecular insights into the carboxyltransfer reaction.
Nat.Struct.Mol.Biol., 15, 2008
7JT8
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BU of 7jt8 by Molmil
Apo structure of a pseudomurein peptide ligase type E from Methanothermus fervidus
Descriptor: MAGNESIUM ION, Mur ligase middle domain protein, SULFATE ION
Authors:Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S, Subedi, B.P.
Deposit date:2020-08-17
Release date:2021-09-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases.
Microbiology (Reading, Engl.), 168, 2022
5JA1
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BU of 5ja1 by Molmil
EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the MbtH-Like Protein YbdZ
Descriptor: 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine, CHLORIDE ION, Enterobactin biosynthesis protein YbdZ, ...
Authors:Miller, B.R, Gulick, A.M.
Deposit date:2016-04-11
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of a Nonribosomal Peptide Synthetase Module Bound to MbtH-like Proteins Support a Highly Dynamic Domain Architecture.
J.Biol.Chem., 291, 2016
3S82
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BU of 3s82 by Molmil
Structure of a S-adenosylmethionine synthetase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-27
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
5F2V
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BU of 5f2v by Molmil
Crystal structure of the small alarmone synthethase 1 from Bacillus subtilis bound to AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GTP pyrophosphokinase YjbM, MAGNESIUM ION
Authors:Steinchen, W, Schuhmacher, J.S, Altegoer, F, Bange, G.
Deposit date:2015-12-02
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Catalytic mechanism and allosteric regulation of an oligomeric (p)ppGpp synthetase by an alarmone.
Proc.Natl.Acad.Sci.USA, 112, 2015
5BSV
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BU of 5bsv by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with feruloyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BSR
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BU of 5bsr by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with adenosine monophosphate and Coenzyme A
Descriptor: 4-coumarate--CoA ligase 2, ADENOSINE MONOPHOSPHATE, COENZYME A, ...
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BSW
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BU of 5bsw by Molmil
Crystal structure of 4-coumarate:CoA ligase delta-V341 mutant complexed with feruloyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5DOU
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BU of 5dou by Molmil
Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), ligand-bound form
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:de Cima, S, Polo, L.M, Fita, I, Rubio, V.
Deposit date:2015-09-11
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis.
Sci Rep, 5, 2015
8ET0
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BU of 8et0 by Molmil
Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ...
Authors:Xu, S, Banerjee, S, Uddin, M.J, Goodman, M.C, Marnett, L.J.
Deposit date:2022-10-15
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal complex of murine cycloxygenase-2 with alpaca nanobody F9
To Be Published

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數據於2024-07-24公開中

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