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4IT0
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BU of 4it0 by Molmil
Structure of the RNA ligase RtcB-GMP/Mn(II) complex
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ...
Authors:Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
Deposit date:2013-01-17
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation.
Biochemistry, 52, 2013
1MCY
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BU of 1mcy by Molmil
SPERM WHALE MYOGLOBIN (MUTANT WITH INITIATOR MET AND WITH HIS 64 REPLACED BY GLN, LEU 29 REPLACED BY PHE
Descriptor: CARBON MONOXIDE, MYOGLOBIN (CARBONMONOXY), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, T, Phillips Jr, G.N.
Deposit date:1995-07-19
Release date:1995-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A double mutant of sperm whale myoglobin mimics the structure and function of elephant myoglobin.
J.Biol.Chem., 270, 1995
8GCX
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BU of 8gcx by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 700 ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCS
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BU of 8gcs by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCV
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BU of 8gcv by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCT
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BU of 8gct by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 6 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
3BJ1
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BU of 3bj1 by Molmil
met-Perch Hemoglobin at pH 5.7
Descriptor: ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ...
Authors:Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N.
Deposit date:2007-12-02
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
3BJ2
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BU of 3bj2 by Molmil
met-Perch Hemoglobin at pH 6.3
Descriptor: ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ...
Authors:Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N.
Deposit date:2007-12-02
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
3BJ3
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BU of 3bj3 by Molmil
met-Perch hemoglobin at pH 8.0
Descriptor: ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ...
Authors:Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N.
Deposit date:2007-12-02
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
3BVO
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BU of 3bvo by Molmil
Crystal structure of human co-chaperone protein HscB
Descriptor: Co-chaperone protein HscB, mitochondrial precursor, SULFATE ION, ...
Authors:Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2008-01-07
Release date:2008-01-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of human J-type co-chaperone HscB reveals a tetracysteine metal-binding domain.
J.Biol.Chem., 283, 2008
3PKP
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BU of 3pkp by Molmil
Q83S Variant of S. Enterica RmlA with dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Glucose-1-phosphate thymidylyltransferase, MAGNESIUM ION
Authors:Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-11-11
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution.
J.Biol.Chem., 286, 2011
3PKQ
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BU of 3pkq by Molmil
Q83D Variant of S. Enterica RmlA with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Glucose-1-phosphate thymidylyltransferase, ...
Authors:Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-11-11
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution.
J.Biol.Chem., 286, 2011
3RSC
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BU of 3rsc by Molmil
Crystal Structure of CalG2, Calicheamicin Glycosyltransferase, TDP and calicheamicin T0 bound form
Descriptor: CalG2, Calicheamicin T0, PHOSPHATE ION, ...
Authors:Chang, A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2011-05-02
Release date:2011-08-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity.
Proc.Natl.Acad.Sci.USA, 108, 2011
3QDE
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BU of 3qde by Molmil
The structure of Cellobiose phosphorylase from Clostridium thermocellum in complex with phosphate
Descriptor: Cellobiose phosphorylase, PHOSPHATE ION, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
Authors:Bianchetti, C.M, Elsen, N.L, Horn, M.K, Fox, B.G, Phillips Jr, G.N.
Deposit date:2011-01-18
Release date:2011-11-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of cellobiose phosphorylase from Clostridium thermocellum in complex with phosphate.
Acta Crystallogr.,Sect.F, 67, 2011
3TSR
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BU of 3tsr by Molmil
X-ray structure of mouse ribonuclease inhibitor complexed with mouse ribonuclease 1
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribonuclease inhibitor, ...
Authors:Chang, A, Lomax, J.E, Bingman, C.A, Raines, R.T, Phillips Jr, G.N.
Deposit date:2011-09-13
Release date:2012-09-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1999 Å)
Cite:Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
5D6W
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BU of 5d6w by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A
Descriptor: Lysine-specific demethylase 4A, S,R MESO-TARTARIC ACID
Authors:Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
5E7Q
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BU of 5e7q by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis
Descriptor: GLYCEROL, SULFATE ION, acyl-CoA synthetase
Authors:Osipiuk, J, Cuff, M.E, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-10-12
Release date:2015-10-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5D6Y
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BU of 5d6y by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A complexed with histone H3K23me3
Descriptor: Lysine-specific demethylase 4A, peptide H3K23me3 (19-28)
Authors:Wang, F, Su, Z, Miller, M.D, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2016-02-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.287 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
5UPT
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BU of 5upt by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand
Descriptor: (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5W27
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BU of 5w27 by Molmil
Crystal structure of TnmS3 in complex with tiancimycin (TNM B)
Descriptor: Glyoxalase/bleomycin resisance protein/dioxygenase, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
Authors:Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-06-05
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of TnmS3 in complex with tiancimycin (TNM B)
To Be Published
5D6X
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BU of 5d6x by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A
Descriptor: Lysine-specific demethylase 4A, SULFATE ION
Authors:Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
5UPS
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BU of 5ups by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP663 ligand
Descriptor: 5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, FORMIC ACID, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.-Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5EEH
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BU of 5eeh by Molmil
Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 2-chloro-4-nitrophenol
Descriptor: 2-chloranyl-4-nitro-phenol, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-10-22
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways.
Acs Chem.Biol., 11, 2016
5UPQ
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BU of 5upq by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP465 ligand
Descriptor: 5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5EEG
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BU of 5eeg by Molmil
Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with tetrazole-SAH
Descriptor: (2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[[(3~{S})-3-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol, Carminomycin 4-O-methyltransferase DnrK
Authors:Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-10-22
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways.
Acs Chem.Biol., 11, 2016

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