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6BIA
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BU of 6bia by Molmil
Crystal structure of Ps i-CgsB
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2017-11-01
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
7PXR
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BU of 7pxr by Molmil
Room temperature structure of an LPMO.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Meilleur, F, Ipsen, J, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7SJZ
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BU of 7sjz by Molmil
Crystal structure of aS162A mutant of Co-type nitrile hydratase from Pseudonocardia thermophila
Descriptor: Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta
Authors:Ogutu, R.A.M.I, Holz, C.R, Bennett, B, St Maurice, M.
Deposit date:2021-10-19
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Examination of the Catalytic Role of the Axial Cystine Ligand in the Co-Type Nitrile Hydratase from Pseudonocardia thermophila JCM 3095
Catalysts, 11, 2021
3SGC
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BU of 3sgc by Molmil
Crystal Structure of Apo Aminoglycoside-2''-Phosphotransferase Type IVa
Descriptor: APH(2'')-Id
Authors:Shi, K, Houston, D.R, Berghuis, A.M.
Deposit date:2011-06-14
Release date:2011-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2''-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases.
Biochemistry, 50, 2011
6B1V
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BU of 6b1v by Molmil
Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2017-09-19
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
5ZDL
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BU of 5zdl by Molmil
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Glutamine--tRNA ligase
Authors:Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
Deposit date:2018-02-23
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
7SAP
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BU of 7sap by Molmil
The CTI-homolog pacifastin
Descriptor: GLYCEROL, Serine protease inhibitor I/II-like Protein
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-09-23
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
7SGQ
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BU of 7sgq by Molmil
Protease inhibitors variant, CTI-homolog pacifastin
Descriptor: Protease inhibitor LCMI-II, SULFATE ION
Authors:Gewe, M.M, Strong, R.K.
Deposit date:2021-10-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
3S34
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BU of 3s34 by Molmil
Structure of the 1121B Fab fragment
Descriptor: 1121B Fab heavy chain, 1121B Fab light chain, PHOSPHATE ION
Authors:Franklin, M.C.
Deposit date:2011-05-17
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis for the Function of Two Anti-VEGF Receptor 2 Antibodies.
Structure, 19, 2011
6AMQ
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BU of 6amq by Molmil
Crystal structure of the DNA polymerase III subunit beta from Enterobacter cloacae
Descriptor: DNA polymerase III subunit beta, SULFATE ION
Authors:McGrath, A.E, Oakley, A.J.
Deposit date:2017-08-11
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structures and biochemical characterization of DNA sliding clamps from three Gram-negative bacterial pathogens.
J. Struct. Biol., 204, 2018
3S6L
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BU of 3s6l by Molmil
Crystal structure of a YadA-like head domain of the trimeric autotransporter adhesin BoaA from Burkholderia pseudomallei solved by iodide ion SAD phasing
Descriptor: CHLORIDE ION, Hep_Hag family, IODIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-25
Release date:2011-06-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a YadA-like head domain of the trimeric autotransporter adhesin BoaA from Burkholderia pseudomallei
To be Published
3TQD
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BU of 3tqd by Molmil
Structure of the 3-deoxy-D-manno-octulosonate cytidylyltransferase (kdsB) from Coxiella burnetii
Descriptor: 3-deoxy-manno-octulosonate cytidylyltransferase, ACETATE ION, NICKEL (II) ION
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-10-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
6C2W
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BU of 6c2w by Molmil
Crystal structure of human prothrombin mutant S101C/A470C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ...
Authors:Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N.
Deposit date:2018-01-09
Release date:2018-02-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (4.12 Å)
Cite:Structure of prothrombin in the closed form reveals new details on the mechanism of activation.
Sci Rep, 8, 2018
5ZFT
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BU of 5zft by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
3U04
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BU of 3u04 by Molmil
Crystal structure of peptide deformylase from ehrlichia chaffeensis in complex with actinonin
Descriptor: ACTINONIN, CHLORIDE ION, Peptide deformylase 1, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of peptide deformylase from ehrlichia chaffeensis in complex with actinonin
To be Published
5ZDO
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BU of 5zdo by Molmil
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
Descriptor: CHLORIDE ION, Glutamine-tRNA ligase
Authors:Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
Deposit date:2018-02-23
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
6C75
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BU of 6c75 by Molmil
Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a monoclinic crystal form
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Alcohol dehydrogenase, FE (III) ION, ...
Authors:Larson, S.B, McPherson, A.
Deposit date:2018-01-19
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6C7L
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BU of 6c7l by Molmil
Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a tetragonal crystal form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ...
Authors:Jones, J.A, Larson, S.B, McPherson, A.
Deposit date:2018-01-22
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6C76
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BU of 6c76 by Molmil
Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in an orthorhombic crystal form
Descriptor: ACETIC ACID, Alcohol dehydrogenase, FE (III) ION, ...
Authors:Larson, S.B, McPherson, A.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Acta Crystallogr F Struct Biol Commun, 75, 2019
3Q89
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BU of 3q89 by Molmil
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with CDP
Descriptor: CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
Authors:Srivastava, S.K, Rajasree, K, Gopal, B.
Deposit date:2011-01-06
Release date:2011-07-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conformational basis for substrate recognition and regulation of catalytic activity in Staphylococcus aureus nucleoside di-phosphate kinase.
Biochim.Biophys.Acta, 2011
3Q8U
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BU of 3q8u by Molmil
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
Authors:Srivastava, S.K, Rajasree, K, Gopal, B.
Deposit date:2011-01-07
Release date:2011-07-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Conformational basis for substrate recognition and regulation of catalytic activity in Staphylococcus aureus nucleoside di-phosphate kinase.
Biochim.Biophys.Acta, 1814, 2011
5ZG6
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BU of 5zg6 by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "post-acylation" intermediate
Descriptor: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
Authors:Pan, X, Zhao, Y.
Deposit date:2018-03-07
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
6CBG
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BU of 6cbg by Molmil
Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (5)
Descriptor: 3-(1H-pyrazol-4-yl)benzoic acid, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:Robertson, M.J, Krimmer, S.G, Jorgensen, W.L.
Deposit date:2018-02-02
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.
ChemMedChem, 13, 2018
3REP
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BU of 3rep by Molmil
Crystal structure of the ILK/alpha-parvin core complex (MnATP)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Alpha-parvin, Integrin-linked kinase, ...
Authors:Fukuda, K, Qin, J.
Deposit date:2011-04-04
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the ILK/alpha-parvin core complex (MnATP)
To be Published
6CBH
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BU of 6cbh by Molmil
Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (8m)
Descriptor: 5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Robertson, M.J, Krimmer, S.G, Jorgensen, W.L.
Deposit date:2018-02-02
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor.
ChemMedChem, 13, 2018

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