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2FHY
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BU of 2fhy by Molmil
Structure of human liver FPBase complexed with a novel benzoxazole as allosteric inhibitor
Descriptor: 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Abad-Zapatero, C.
Deposit date:2005-12-27
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006
2FPK
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BU of 2fpk by Molmil
RadA recombinase in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA repair and recombination protein radA, MAGNESIUM ION, ...
Authors:Wu, Y, Qian, X, He, Y, Moya, I.A, Luo, Y.
Deposit date:2006-01-16
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Methanococcus Voltae Rada in Complex with Adp: hydrolysis-induced conformational change
Biochemistry, 44, 2005
2Z09
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BU of 2z09 by Molmil
Crystal structure of uncharacterized conserved protein from Thermus thermophilus HB8
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Universal stress protein family
Authors:Iino, H, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-07
Release date:2007-11-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of uncharacterized conserved protein from Thermus thermophilus HB8
To be Published
2Z7R
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BU of 2z7r by Molmil
Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Staurosporine
Descriptor: Ribosomal protein S6 kinase alpha-1, STAUROSPORINE
Authors:Ikuta, M, Munshi, S.K.
Deposit date:2007-08-28
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors.
Protein Sci., 16, 2007
2ZZF
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BU of 2zzf by Molmil
Crystal structure of alanyl-tRNA synthetase without oligomerization domain
Descriptor: Alanyl-tRNA synthetase, ZINC ION
Authors:Sokabe, M, Ose, T, Tokunaga, K, Nakamura, A, Nureki, O, Yao, M, Tanaka, I.
Deposit date:2009-02-10
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of alanyl-tRNA synthetase with editing domain.
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZZG
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BU of 2zzg by Molmil
Crystal structure of alanyl-tRNA synthetase in complex with 5''-O-(N-(L-alanyl)-sulfamyoxyl) adenine without oligomerization domain
Descriptor: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, Alanyl-tRNA synthetase, ZINC ION
Authors:Sokabe, M, Ose, T, Tokunaga, K, Nakamura, A, Nureki, O, Yao, M, Tanaka, I.
Deposit date:2009-02-10
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structure of alanyl-tRNA synthetase with editing domain.
Proc.Natl.Acad.Sci.USA, 106, 2009
3ANO
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BU of 3ano by Molmil
Crystal Structure of a Novel Diadenosine 5',5'''-P1,P4-Tetraphosphate Phosphorylase from Mycobacterium tuberculosis H37Rv
Descriptor: AP-4-A phosphorylase, PHOSPHATE ION, TETRAETHYLENE GLYCOL
Authors:Mori, S, Shibayama, K, Wachino, J, Arakawa, Y.
Deposit date:2010-09-06
Release date:2011-05-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Structural insights into the novel diadenosine 5',5-P1,P4-tetraphosphate phosphorylase from Mycobacterium tuberculosis H37Rv
J.Mol.Biol., 410, 2011
7LHR
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BU of 7lhr by Molmil
Crystal structure of adenosine-5'-phosphosulfate reductase from Mycobacterium tuberculosis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, IRON/SULFUR CLUSTER, Phosphoadenosine phosphosulfate reductase
Authors:Feliciano, P.R, Drennan, C.L.
Deposit date:2021-01-26
Release date:2021-07-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal Structure of the [4Fe-4S] Cluster-Containing Adenosine-5'-phosphosulfate Reductase from Mycobacterium tuberculosis .
Acs Omega, 6, 2021
7LHS
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BU of 7lhs by Molmil
Crystal structure of adenosine-5'-phosphosulfate reductase from Mycobacterium tuberculosis in a complex with substrate APS
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-PHOSPHOSULFATE, IRON/SULFUR CLUSTER, ...
Authors:Feliciano, P.R, Drennan, C.L.
Deposit date:2021-01-26
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal Structure of the [4Fe-4S] Cluster-Containing Adenosine-5'-phosphosulfate Reductase from Mycobacterium tuberculosis .
Acs Omega, 6, 2021
2ZOA
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BU of 2zoa by Molmil
Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) COLLECTED AT 1.280 ANGSTROM
Descriptor: FE (II) ION, MALONATE ION, Phosphohydrolase
Authors:Ollis, D.L, Jackson, C.J, Carr, P.D.
Deposit date:2008-05-07
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference.
Acta Crystallogr.,Sect.F, 64, 2008
3AN1
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BU of 3an1 by Molmil
Crystal structure of rat D428A mutant, urate bound form
Descriptor: BICARBONATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Okamoto, K, Kawaguchi, Y, Eger, B.T, Pai, E.F, Nishino, T.
Deposit date:2010-08-27
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structures of Urate Bound Form of Xanthine Oxidoreductase: Substrate Orientation and Structure of the Key Reaction Intermediate
J.Am.Chem.Soc., 132, 2010
6CT4
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BU of 6ct4 by Molmil
TFE-induced NMR structure of an antimicrobial peptide (EcDBS1R5) derived from a mercury transporter protein (MerP - Escherichia coli)
Descriptor: EcDBS1R5
Authors:Cardoso, M.H, Chan, L.Y, Candido, E.S, Craik, D.J, Franco, O.L.
Deposit date:2018-03-22
Release date:2018-11-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Computationally Designed Peptide Derived from Escherichia coli as a Potential Drug Template for Antibacterial and Antibiofilm Therapies.
ACS Infect Dis, 4, 2018
3BAC
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BU of 3bac by Molmil
Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase
Descriptor: DNA ligase, N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide, PHOSPHATE ION
Authors:Pinko, C.
Deposit date:2007-11-07
Release date:2008-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase
To be Published
2Z7S
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BU of 2z7s by Molmil
Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Purvalnol A
Descriptor: 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Ribosomal protein S6 kinase alpha-1
Authors:Ikuta, M, Munshi, S.K.
Deposit date:2007-08-28
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors.
Protein Sci., 16, 2007
2ZO9
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BU of 2zo9 by Molmil
Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal ion preference
Descriptor: FE (II) ION, MALONATE ION, Phosphohydrolase
Authors:Jackson, C.J, Carr, P.D, Ollis, D.L.
Deposit date:2008-05-07
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference.
Acta Crystallogr.,Sect.F, 64, 2008
3BBP
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BU of 3bbp by Molmil
Rab6-GTP:GCC185 Rab binding domain complex
Descriptor: GRIP and coiled-coil domain-containing protein 2, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Schweizer Burguete, A, Fenn, T.D, Brunger, A.T, Pfeffer, S.R.
Deposit date:2007-11-09
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rab and Arl GTPase family members cooperate in the localization of the golgin GCC185.
Cell(Cambridge,Mass.), 132, 2008
3C9U
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BU of 3c9u by Molmil
AaThiL complexed with ADP and TPP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THIAMINE DIPHOSPHATE, ...
Authors:McCulloch, K.M, Kinsland, C, Begley, T.P, Ealick, S.E.
Deposit date:2008-02-18
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural studies of thiamin monophosphate kinase in complex with substrates and products.
Biochemistry, 47, 2008
2ZZE
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BU of 2zze by Molmil
Crystal structure of alanyl-tRNA synthetase without oligomerization domain in lysine-methylated form
Descriptor: Alanyl-tRNA synthetase, ZINC ION
Authors:Sokabe, M, Ose, T, Tokunaga, K, Nakamura, A, Nureki, O, Yao, M, Tanaka, I.
Deposit date:2009-02-10
Release date:2009-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:The structure of alanyl-tRNA synthetase with editing domain.
Proc.Natl.Acad.Sci.USA, 106, 2009
3C9R
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BU of 3c9r by Molmil
AaThiL complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Thiamine monophosphate kinase
Authors:McCulloch, K.M, Kinsland, C, Begley, T.P, Ealick, S.E.
Deposit date:2008-02-18
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of thiamin monophosphate kinase in complex with substrates and products.
Biochemistry, 47, 2008
6LOZ
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BU of 6loz by Molmil
crystal structure of alpha-momorcharin in complex with adenine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein momordin I
Authors:Fan, X, Jin, T.
Deposit date:2020-01-07
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
6LOR
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BU of 6lor by Molmil
crystal structure of alpha-momorcharin in complex with ADP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Ribosome-inactivating protein momordin I
Authors:Fan, X, Jin, T.
Deposit date:2020-01-07
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
6LOW
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BU of 6low by Molmil
crystal structure of alpha-momorcharin in complex with GMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-MONOPHOSPHATE, Ribosome-inactivating protein momordin I
Authors:Fan, X, Jin, T.
Deposit date:2020-01-07
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
6LOV
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BU of 6lov by Molmil
crystal structure of alpha-momorcharin in complex with xanthosine
Descriptor: 2,3-dihydroxanthosine, Ribosome-inactivating protein momordin I
Authors:Fan, X, Jin, T.
Deposit date:2020-01-07
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
6MG0
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BU of 6mg0 by Molmil
Crystal structure of a 5-domain construct of LgrA in the thiolation state
Descriptor: 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, Linear gramicidin synthase subunit A
Authors:Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M.
Deposit date:2018-09-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
6M2O
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BU of 6m2o by Molmil
Double mutant(H333A/I334A) crystal structure of benzoate coenzyme A ligase
Descriptor: Benzoate-coenzyme A ligase
Authors:Li, T.L, Adhikari, K.
Deposit date:2020-02-28
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Chemoenzymatic Synthesis and Biological Evaluation for Bioactive Molecules Derived from Bacterial Benzoyl Coenzyme A Ligase and Plant Type III Polyketide Synthase.
Biomolecules, 10, 2020

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