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6LKY
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BU of 6lky by Molmil
Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
Descriptor: ACETATE ION, ACETYL GROUP, CITRIC ACID, ...
Authors:Huang, S, Wang, P, Zhu, G.P.
Deposit date:2019-12-21
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
To Be Published
3DOR
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BU of 3dor by Molmil
Crystal Structure of mature CPAF
Descriptor: Protein CT_858, SULFATE ION
Authors:Chai, J, Huang, Z.
Deposit date:2008-07-06
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
3DPM
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BU of 3dpm by Molmil
Structure of mature CPAF complexed with lactacystin
Descriptor: N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine, Protein CT_858
Authors:Chai, J, Huang, Z.
Deposit date:2008-07-09
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
6AEJ
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BU of 6aej by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-05
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
1D8V
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BU of 1d8v by Molmil
THE RESTRAINED AND MINIMIZED AVERAGE NMR STRUCTURE OF MAP30.
Descriptor: ANTI-HIV AND ANTI-TUMOR PROTEIN MAP30
Authors:Wang, Y.-X, Neamati, N, Jacob, J, Palmer, I, Stahl, S.J.
Deposit date:1999-10-26
Release date:1999-11-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of anti-HIV-1 and anti-tumor protein MAP30: structural insights into its multiple functions.
Cell(Cambridge,Mass.), 99, 1999
3COG
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BU of 3cog by Molmil
Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine
Descriptor: (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ...
Authors:Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC)
Deposit date:2008-03-28
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S.
J.Biol.Chem., 284, 2009
3KU0
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BU of 3ku0 by Molmil
Structure of GAP31 with adenine at its binding pocket
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin
Authors:Kong, X.-P.
Deposit date:2009-11-26
Release date:2010-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
3KTZ
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BU of 3ktz by Molmil
Structure of GAP31
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein gelonin
Authors:Kong, X.-P.
Deposit date:2009-11-26
Release date:2010-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Biochem.Biophys.Res.Commun., 391, 2010
7YOW
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BU of 7yow by Molmil
Crystal structure of SARS-CoV-2 omicron variant spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
Descriptor: Fab Heavy chain, Fab Light chain, SULFATE ION, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2022-08-02
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
5I5D
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BU of 5i5d by Molmil
Salmonella global domain 245
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2017-04-19
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
6AK4
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BU of 6ak4 by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-30
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
8XR4
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BU of 8xr4 by Molmil
Crystal structure of AKRtyl-NADP(H) complex
Descriptor: Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2024-01-06
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8XR3
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BU of 8xr3 by Molmil
Crystal structure of AKRtyl-apo2
Descriptor: Aldo/keto reductase
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2024-01-06
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8XR2
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BU of 8xr2 by Molmil
Crystal structure of AKRtyl-apo1
Descriptor: Aldo/keto reductase
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2024-01-06
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8Y6F
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BU of 8y6f by Molmil
The crystal structure of MMPs cleavable human heavy chain ferritin
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin, ...
Authors:Yuan, C, Huang, M.
Deposit date:2024-02-02
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Engineered protein cages with enhanced extracellular drug release for elevated antitumor efficacy.
Int.J.Biol.Macromol., 267, 2024
3DJA
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BU of 3dja by Molmil
Crystal Structure of cpaf solved with MAD
Descriptor: Protein CT_858
Authors:Chai, J, Huang, Z.
Deposit date:2008-06-22
Release date:2009-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
3DPN
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BU of 3dpn by Molmil
Crystal Structure of cpaf s499a mutant
Descriptor: Protein CT_858
Authors:Chai, J, Huang, Z.
Deposit date:2008-07-09
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
6DRH
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BU of 6drh by Molmil
ADP-ribosyltransferase toxin/immunity pair
Descriptor: ADP-ribosyl-(Dinitrogen reductase) hydrolase, MAGNESIUM ION, PAAR repeat-containing protein, ...
Authors:Bosch, D.E, Ting, S, Allaire, M, Mougous, J.D.
Deposit date:2018-06-11
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Bifunctional Immunity Proteins Protect Bacteria against FtsZ-Targeting ADP-Ribosylating Toxins.
Cell, 175, 2018
1FPL
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BU of 1fpl by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH AMP, 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE AND THALLIUM IONS (10 MM)
Descriptor: 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ...
Authors:Villeret, V, Lipscomb, W.N.
Deposit date:1995-06-02
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase.
Proc.Natl.Acad.Sci.USA, 92, 1995
1FPK
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BU of 1fpk by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH THALLIUM IONS (10 MM)
Descriptor: FRUCTOSE-1,6-BISPHOSPHATASE, THALLIUM (I) ION
Authors:Villeret, V, Lipscomb, W.N.
Deposit date:1995-06-02
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase.
Proc.Natl.Acad.Sci.USA, 92, 1995
1FPJ
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BU of 1fpj by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH AMP, 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE, THALLIUM (10 MM) AND LITHIUM IONS (10 MM)
Descriptor: 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ...
Authors:Villeret, V, Lipscomb, W.N.
Deposit date:1995-06-02
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase.
Proc.Natl.Acad.Sci.USA, 92, 1995
1FPI
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BU of 1fpi by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE (D-FRUCTOSE-1,6-BISPHOSPHATE 1-PHOSPHOHYDROLASE) COMPLEXED WITH AMP, 2,5-ANHYDRO-D-GLUCITOL-1,6-BISPHOSPHATE AND POTASSIUM IONS (100 MM)
Descriptor: 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ...
Authors:Villeret, V, Lipscomb, W.N.
Deposit date:1995-06-02
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic evidence for the action of potassium, thallium, and lithium ions on fructose-1,6-bisphosphatase.
Proc.Natl.Acad.Sci.USA, 92, 1995
6DRE
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BU of 6dre by Molmil
ADP-ribosyltransferase toxin/immunity pair
Descriptor: ADP-ribosyl-(Dinitrogen reductase) hydrolase, MAGNESIUM ION, PAAR repeat-containing protein
Authors:Bosch, D.E, Ting, S, Allaire, M, Mougous, J.D.
Deposit date:2018-06-11
Release date:2018-10-31
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bifunctional Immunity Proteins Protect Bacteria against FtsZ-Targeting ADP-Ribosylating Toxins.
Cell, 175, 2018
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
Authors:Yan, M, Zhang, H.
Deposit date:2022-11-08
Release date:2023-04-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
1COU
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BU of 1cou by Molmil
ANTICOAGULANT PROTEIN FROM THE NEMATODE ANCYLOSTOMA CANINUM
Descriptor: PROTEIN (NEMATODE ANTICOAGULANT PROTEIN C2)
Authors:Duggan, B.M, Dyson, H.J, Wright, P.E.
Deposit date:1999-05-28
Release date:1999-10-20
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Inherent flexibility in a potent inhibitor of blood coagulation, recombinant nematode anticoagulant protein c2.
Eur.J.Biochem., 265, 1999

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