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7CSB
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BU of 7csb by Molmil
AtPrR1 with NADP+ and (+)pinoresinol
Descriptor: 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.002017 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS5
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BU of 7cs5 by Molmil
IiPLR1 with NADP+ and (-)pinoresinol
Descriptor: 4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.18993235 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSH
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BU of 7csh by Molmil
AtPrR2 with NADP+ and (+)pinoresinol
Descriptor: 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 2
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.590775 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS9
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BU of 7cs9 by Molmil
AtPrR1 in apo form
Descriptor: Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8011415 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS7
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BU of 7cs7 by Molmil
IiPLR1 with NADP+ and (+)secoisolariciresinol
Descriptor: (2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.297653 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSG
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BU of 7csg by Molmil
AtPrR2 in apo form
Descriptor: Pinoresinol reductase 2
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99689388 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CSA
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BU of 7csa by Molmil
AtPrR1 with NADP+
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.96212828 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7E1D
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BU of 7e1d by Molmil
Se-DBD
Descriptor: DNA-binding response regulator
Authors:Hong, S, Zhang, P.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2023-02-22
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structural basis of phosphorylation-induced activation of the response regulator VbrR.
Acta Biochim.Biophys.Sin., 2023
7E1F
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BU of 7e1f by Molmil
Native-DBD
Descriptor: DNA-binding response regulator
Authors:Hong, S, Zhang, P.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Structural basis of phosphorylation-induced activation of the response regulator VbrR.
Acta Biochim.Biophys.Sin., 2023
7VM8
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BU of 7vm8 by Molmil
Crystal structure of the MtDMI1 gating ring
Descriptor: Ion channel DMI1
Authors:Huang, X, Zhang, P.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.034 Å)
Cite:Constitutive activation of a nuclear-localized calcium channel complex in Medicago truncatula.
Proc.Natl.Acad.Sci.USA, 119, 2022
6KRC
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BU of 6krc by Molmil
An X-ray structure of ferric F43Y/F46S sperm whale myoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W.
Deposit date:2019-08-21
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A Catalytic Binding Site Together with a Distal Tyr in MyoglobinAffords Catalytic Efficiencies Similar to Natural Peroxidases.
Acs Catalysis, 10, 2020
4HXX
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BU of 4hxx by Molmil
Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1
Descriptor: (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ...
Authors:Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
6DE7
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BU of 6de7 by Molmil
Crystal Structure at 4.3 A Resolution of Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer with Interdomain Stabilization 113C-429GCG in Complex with Broadly Neutralizing Antibodies PGT122 and 35O22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 heavy chain, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2018-05-11
Release date:2018-06-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.123 Å)
Cite:Interdomain Stabilization Impairs CD4 Binding and Improves Immunogenicity of the HIV-1 Envelope Trimer.
Cell Host Microbe, 23, 2018
6NTE
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BU of 6nte by Molmil
Crystal Structure of Synechocystis Dihydroxyacid Dehydratase (DHAD)
Descriptor: Dihydroxy-acid dehydratase
Authors:MacTavish, B, Bruner, S.
Deposit date:2019-01-29
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Cyanobacterial Dihydroxyacid Dehydratases Are a Promising Growth Inhibition Target.
Acs Chem.Biol., 15, 2020
3D6N
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BU of 3d6n by Molmil
Crystal Structure of Aquifex Dihydroorotase Activated by Aspartate Transcarbamoylase
Descriptor: Aspartate carbamoyltransferase, CITRATE ANION, Dihydroorotase, ...
Authors:Edwards, B.F.P.
Deposit date:2008-05-20
Release date:2009-01-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dihydroorotase from the hyperthermophile Aquifiex aeolicus is activated by stoichiometric association with aspartate transcarbamoylase and forms a one-pot reactor for pyrimidine biosynthesis.
Biochemistry, 48, 2009
6KRF
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BU of 6krf by Molmil
An X-ray structure of ferric F43Y/F46S sperm whale myoglobin in complex with guaiacol
Descriptor: Guaiacol, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W.
Deposit date:2019-08-21
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Catalytic Binding Site Together with a Distal Tyr in MyoglobinAffords Catalytic Efficiencies Similar to Natural Peroxidases.
Acs Catalysis, 10, 2020
2QN2
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BU of 2qn2 by Molmil
Glycogen Phosphorylase b in complex with Maslinic Acid
Descriptor: Glycogen phosphorylase, muscle form, maslinic acid
Authors:Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
Deposit date:2007-07-17
Release date:2008-06-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
Descriptor: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
Authors:Sack, J.S, Critton, D.A.
Deposit date:2021-11-11
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
6RZ3
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BU of 6rz3 by Molmil
Crystal structure of a complex between the DNA-binding domain of p53 and the carboxyl-terminal conserved region of iASPP
Descriptor: Cellular tumor antigen p53, RelA-associated inhibitor, ZINC ION
Authors:Chen, S, Ren, J, Jones, E.Y, Lu, X.
Deposit date:2019-06-12
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.23 Å)
Cite:iASPP mediates p53 selectivity through a modular mechanism fine-tuning DNA recognition.
Proc.Natl.Acad.Sci.USA, 116, 2019
5FWG
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BU of 5fwg by Molmil
TETRA-(5-FLUOROTRYPTOPHANYL)-GLUTATHIONE TRANSFERASE
Descriptor: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, TETRA-(5-FLUOROTRYPTOPHANYL)-GLUTATHIONE TRANSFERASE MU CLASS
Authors:Parsons, J.F, Xiao, G, Armstrong, R.N, Gilliland, G.L.
Deposit date:1997-11-08
Release date:1999-01-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enzymes harboring unnatural amino acids: mechanistic and structural analysis of the enhanced catalytic activity of a glutathione transferase containing 5-fluorotryptophan.
Biochemistry, 37, 1998
3BXV
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BU of 3bxv by Molmil
Crystal structure studies on sulfur oxygenase reductase from Acidianus tengchongensis
Descriptor: FE (III) ION, Sulfur oxygenase/reductase
Authors:Chang, W.R, Li, M.
Deposit date:2008-01-14
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure studies on sulfur oxygenase reductase from Acidianus tengchongensis
Biochem.Biophys.Res.Commun., 369, 2008
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
7U9O
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BU of 7u9o by Molmil
SARS-CoV-2 spike trimer RBD in complex with Fab NE12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NE12 Fab heavy chain, NE12 Fab light chain, ...
Authors:Tsybovsky, Y, Kwong, P.D, Farci, P.
Deposit date:2022-03-11
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants.
Cell Rep, 41, 2022

221051

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