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6D5X
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BU of 6d5x by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, Adenosylcobalamin, and Triphosphate
Descriptor: 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ...
Authors:Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R.
Deposit date:2018-04-19
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
6D5K
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BU of 6d5k by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R.
Deposit date:2018-04-19
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
8W87
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BU of 8w87 by Molmil
Cryo-EM structure of the METH-TAAR1 complex
Descriptor: (2S)-N-methyl-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
Deposit date:2023-09-01
Release date:2023-11-22
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
7KC0
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BU of 7kc0 by Molmil
Structure of the Saccharomyces cerevisiae replicative polymerase delta in complex with a primer/template and the PCNA clamp
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (25-MER), DNA (5'-D(P*AP*TP*GP*AP*CP*CP*AP*TP*GP*AP*TP*TP*AP*CP*GP*AP*AP*TP*TP*GP*C)-3'), ...
Authors:Zheng, F, Georgescu, R, Li, H, O'Donnell, M.E.
Deposit date:2020-10-04
Release date:2020-12-02
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of eukaryotic DNA polymerase delta bound to the PCNA clamp while encircling DNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
4A6G
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BU of 4a6g by Molmil
N-acyl amino acid racemase from Amycalotopsis sp. Ts-1-60: G291D- F323Y mutant in complex with N-acetyl methionine
Descriptor: MAGNESIUM ION, N-ACETYLMETHIONINE, N-ACYLAMINO ACID RACEMASE
Authors:Baxter, S, Royer, S, Grogan, G, Holt-Tiffin, K.E, Taylor, I.N, Fotheringham, I.G, Campopiano, D.J.
Deposit date:2011-11-02
Release date:2012-11-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:An Improved Racemase/Acylase Biotransformation for the Preparation of Enantiomerically Pure Amino Acids.
J.Am.Chem.Soc., 134, 2012
6DXS
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BU of 6dxs by Molmil
Crystal structure of the LigJ hydratase E284Q mutant substrate complex with (3Z)-2-keto-4-carboxy-3-hexenedioate
Descriptor: (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION
Authors:Mabanglo, M.F, Raushel, F.M, Hogancamp, T.N.
Deposit date:2018-06-29
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
6DU6
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BU of 6du6 by Molmil
Crystal structure of the pyruvate kinase (PK1) from the mosquito Aedes aegypti
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase
Authors:Pizarro, J.C, Scaraffia, P.Y, Petchampai, N, Murillo-Solano, C.
Deposit date:2018-06-19
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.513 Å)
Cite:Distinctive regulatory properties of pyruvate kinase 1 from Aedes aegypti mosquitoes.
Insect Biochem. Mol. Biol., 104, 2018
9ASV
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BU of 9asv by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a benzyl 2-pyrrolidone inhibitor
Descriptor: (1R,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ...
Authors:Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2024-02-26
Release date:2024-07-10
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
9ASW
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BU of 9asw by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorobenzyl 2-pyrrolidone inhibitor
Descriptor: (1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ...
Authors:Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2024-02-26
Release date:2024-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
7JVK
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BU of 7jvk by Molmil
Structure of the M101A variant of the SidA ornithine hydroxylase with the FAD in the "out" conformation
Descriptor: ACETATE ION, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-08-21
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Determinants of Flavin Dynamics in a Class B Monooxygenase.
Biochemistry, 59, 2020
7JVL
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BU of 7jvl by Molmil
Structure of the M101A variant of the SidA ornithine hydroxylase complexed with NADP and the FAD in the "out" conformation
Descriptor: ACETATE ION, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-08-21
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Determinants of Flavin Dynamics in a Class B Monooxygenase.
Biochemistry, 59, 2020
2MFS
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BU of 2mfs by Molmil
Solution NMR structure of the cactus-derived antimicrobial peptide Ep-AMP1
Descriptor: Ep-AMP1
Authors:Rosengren, K, Goransson, U, Gunasekera, S, Aboye, T.L.
Deposit date:2013-10-22
Release date:2014-11-12
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:A cactus-derived toxin-like cystine knot Peptide with selective antimicrobial activity.
Chembiochem, 16, 2015
4RWX
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BU of 4rwx by Molmil
Crystal Structure of L. monocytogenes PstA
Descriptor: Lmo2692 protein
Authors:Choi, P.H, Tong, L.
Deposit date:2014-12-07
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular basis for the recognition of cyclic-di-AMP by PstA, a PII -like signal transduction protein.
Microbiologyopen, 4, 2015
1WQW
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BU of 1wqw by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Ot3 in complex with Biotinyl-5-AMP
Descriptor: BIOTINYL-5-AMP, biotin--[acetyl-CoA-carboxylase] ligase
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-10-04
Release date:2005-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structures of Biotin Protein Ligase from Pyrococcus horikoshii OT3 and its Complexes: Structural Basis of Biotin Activation
J.Mol.Biol., 353, 2005
6GYW
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BU of 6gyw by Molmil
Crystal structure of DacA from Staphylococcus aureus
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6GYY
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BU of 6gyy by Molmil
Crystal structure of DacA from Staphylococcus aureus, N166C/T172C double mutant
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
7NP4
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BU of 7np4 by Molmil
cAMP-bound rabbit HCN4 stabilized in LMNG-CHS detergent mixture
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Authors:Giese, H, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A.
Deposit date:2021-02-26
Release date:2021-08-11
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Gating movements and ion permeation in HCN4 pacemaker channels.
Mol.Cell, 81, 2021
6GYZ
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BU of 6gyz by Molmil
Crystal structure of GlmM from Staphylococcus aureus
Descriptor: Phosphoglucosamine mutase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
2DXU
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BU of 2dxu by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Complexed with Biotinyl-5'-AMP, Mutation R48A
Descriptor: BIOTINYL-5-AMP, biotin--[acetyl-CoA-carboxylase] ligase
Authors:Bagautdinov, B, Taketa, M, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-08-30
Release date:2007-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Protein biotinylation visualized by a complex structure of biotin protein ligase with a substrate
J.Biol.Chem., 283, 2008
2A3L
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BU of 2a3l by Molmil
X-Ray Structure of Adenosine 5'-Monophosphate Deaminase from Arabidopsis Thaliana in Complex with Coformycin 5'-Phosphate
Descriptor: AMP deaminase, COFORMYCIN 5'-PHOSPHATE, PHOSPHATE ION, ...
Authors:Han, B.W, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-06-25
Release date:2005-07-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Membrane association, mechanism of action, and structure of Arabidopsis embryonic factor 1 (FAC1).
J.Biol.Chem., 281, 2006
2NYE
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BU of 2nye by Molmil
Crystal structure of the Bateman2 domain of yeast Snf4
Descriptor: Nuclear protein SNF4
Authors:Rudolph, M.J, Amodeo, G.A, Iram, S, Hong, S, Pirino, G, Carlson, M, Tong, L.
Deposit date:2006-11-20
Release date:2006-12-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Bateman2 domain of yeast Snf4: dimeric association and relevance for AMP binding.
Structure, 15, 2007
2NYC
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BU of 2nyc by Molmil
Crystal structure of the Bateman2 domain of yeast Snf4
Descriptor: Nuclear protein SNF4
Authors:Rudolph, M.J, Amodeo, G.A, Iram, S, Hong, S, Pirino, G, Carlson, M, Tong, L.
Deposit date:2006-11-20
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Bateman2 domain of yeast Snf4: dimeric association and relevance for AMP binding.
Structure, 15, 2007
9BS4
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BU of 9bs4 by Molmil
DNA Ligase 1 E346A/E592A double mutant with 5'-rG:C
Descriptor: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*G)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:KanalElamparithi, B, Caglayan, M.
Deposit date:2024-05-12
Release date:2024-09-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of LIG1 uncover the mechanism of sugar discrimination against 5'-RNA-DNA junctions during ribonucleotide excision repair.
J.Biol.Chem., 300, 2024
9BS3
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BU of 9bs3 by Molmil
Wild type DNA Ligase 1 with 5'-rG:C
Descriptor: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:KanalElamparithi, B, Caglayan, M.
Deposit date:2024-05-12
Release date:2024-09-25
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structures of LIG1 uncover the mechanism of sugar discrimination against 5'-RNA-DNA junctions during ribonucleotide excision repair.
J.Biol.Chem., 300, 2024
1N78
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BU of 1n78 by Molmil
Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with tRNA(Glu) and glutamol-AMP.
Descriptor: GLUTAMOL-AMP, Glutamyl-tRNA synthetase, MAGNESIUM ION, ...
Authors:Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-11-13
Release date:2003-02-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding
EMBO J., 22, 2003

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