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7JI1
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BU of 7ji1 by Molmil
NMR structure of the Streptococcus pyogenes NAD+-glycohydrolase translocation domain
Descriptor: ADP-ribosyl cyclase / cyclic ADP-ribose hydrolase
Authors:Velarde, J.J, Piai, A, Chou, J.J, Wessels, M.
Deposit date:2020-07-22
Release date:2021-07-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the Streptococcus pyogenes NAD + Glycohydrolase Translocation Domain and Its Essential Role in Toxin Binding to Oropharyngeal Keratinocytes.
J.Bacteriol., 204, 2022
7UPI
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BU of 7upi by Molmil
Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex
Descriptor: CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ...
Authors:Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A.
Deposit date:2022-04-15
Release date:2022-05-04
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
6WO9
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BU of 6wo9 by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 1-diphosphoinositol pentakisphosphate (1-IP7) and Mg
Descriptor: (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WOG
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BU of 6wog by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5-methylenebisphosphonate inositol pentakisphosphate (5-PCP-IP5)
Descriptor: Diphosphoinositol polyphosphate phosphohydrolase 1, Methylenebisphosphonate inositol pentakisphosphate, SULFATE ION
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WOI
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BU of 6woi by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 1-Diphosphoinositol pentakisphosphate, Mg, and Fluoride ion, presoaked with 1,5-IP8, Mg and Fluoride for 30 seconds
Descriptor: (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WOE
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BU of 6woe by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with inositol hexakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 10min in the absence of Fluoride.
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WO7
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BU of 6wo7 by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5-Diphosphoinositol pentakisphosphate (5-IP7), Mg, and Fluoride ion
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WO8
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BU of 6wo8 by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5-diphosphoinositol 1,3,4,6-tetrakisphosphate (5-PP-IP4), Mg, and Fluoride ion
Descriptor: (1r,2R,3S,4r,5R,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WOA
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BU of 6woa by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 2-Diphosphoinositol pentakisphosphate (2-IP7), Mg, and Fluoride ion
Descriptor: (1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WOD
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BU of 6wod by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with inositol hexakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 2min in the absence of Fluoride.
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
7UWT
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BU of 7uwt by Molmil
Structure of Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB_Vv F70A/F108Y (NTR 2.0) in complex with FMN at 1.85 Angstroms resolution
Descriptor: ACETATE ION, Dihydropteridine reductase, FLAVIN MONONUCLEOTIDE, ...
Authors:Sharrock, A.V, Arcus, V, Mumm, J.S, Ackerley, D.F.
Deposit date:2022-05-03
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of Engineered Nitroreductase NTR 2.0 and Impact of F70A and F108Y Substitutions on Substrate Specificity.
Int J Mol Sci, 24, 2023
6WOF
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BU of 6wof by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with inositol hexakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 20min in the absence of Fluoride.
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WOB
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BU of 6wob by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 4-diphosphoinositol pentakisphosphate (4-IP7), Mg, and Fluoride ion
Descriptor: (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Zong, G.N, Wang, H.C, Shears, B.S.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WOC
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BU of 6woc by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5-diphosphoinositol pentakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 1min in the absence of Fluoride.
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
6WOH
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BU of 6woh by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 1,5-di-methylenebisphosphonate inositol tetrakisphosphate (1,5-PCP-IP4)
Descriptor: Diphosphoinositol polyphosphate phosphohydrolase 1, SULFATE ION, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)
Authors:Zong, G.N, Wang, H.C, Shears, S.B.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
1H19
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BU of 1h19 by Molmil
STRUCTURE OF [E271Q]LEUKOTRIENE A4 HYDROLASE
Descriptor: ACETIC ACID, IMIDAZOLE, LEUKOTRIENE A-4 HYDROLASE, ...
Authors:Rudberg, P.C, Tholander, F, Thunnissen, M.M.G.M, Haeggstrom, J.Z.
Deposit date:2002-07-04
Release date:2002-08-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Leukotriene A4 Hydrolase/Aminopeptidase, Glutamate 271 is a Catalyticresidue with Specific Roles in Two Distinct Enzyme Mechanisms
J.Biol.Chem., 277, 2002
1H7Z
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BU of 1h7z by Molmil
Adenovirus Ad3 fibre head
Descriptor: ADENOVIRUS FIBRE PROTEIN, SULFATE ION
Authors:Durmort, C, Stehlin, C, Schoehn, G, Mitraki, A, Drouet, E, Cusack, S, Burmeister, W.P.
Deposit date:2001-01-21
Release date:2001-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Fiber Head of Ad3, a Non-Car-Binding Serotype of Adenovirus
Virology, 285, 2001
1H5Y
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BU of 1h5y by Molmil
HisF protein from Pyrobaculum aerophilum
Descriptor: GLYCEROL, HISF, PHOSPHATE ION
Authors:Banfield, M.J, Lott, J.S, McCarthy, A.A, Baker, E.N.
Deposit date:2001-05-31
Release date:2001-06-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Hisf, a Histidine Biosynthetic Protein from Pyrobaculum Aerophilum
Acta Crystallogr.,Sect.D, 57, 2001
7TQ8
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BU of 7tq8 by Molmil
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d
Descriptor: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ...
Authors:Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
1KZ5
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BU of 1kz5 by Molmil
Solution structure of the third helix of Antennapedia homeodomain derivatives (RQIKIWFRKWKK)
Descriptor: Antennapedia protein
Authors:Czajlik, A, Mesko, E, Penke, B, Perczel, A.
Deposit date:2002-02-06
Release date:2002-02-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Investigation of penetratin peptides. Part 1. The environment dependent conformational properties of penetratin and two of its derivatives.
J.Pept.Sci., 8, 2002
8OIZ
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BU of 8oiz by Molmil
Crystal structure of human CRBN-DDB1 in complex with Pomalidomide
Descriptor: 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Le Bihan, Y.-V, Cabry, M.P, van Montfort, R.L.M.
Deposit date:2023-03-23
Release date:2023-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
7THU
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BU of 7thu by Molmil
Structure of reduced bovine cytochrome c oxidase at 1.93 Angstrom resolution obtained by synchrotron X-rays
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ishigami, I, Rousseau, D.L, Yeh, S.-R.
Deposit date:2022-01-12
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase.
J.Biol.Chem., 298, 2022
1HE1
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BU of 1he1 by Molmil
Crystal structure of the complex between the GAP domain of the Pseudomonas aeruginosa ExoS toxin and human Rac
Descriptor: ALUMINUM FLUORIDE, EXOENZYME S, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wurtele, M, Wolf, E, Pederson, K.J, Buchwald, G, Ahmadian, M.R, Barbieri, J.T, Wittinghofer, A.
Deposit date:2000-11-18
Release date:2001-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:How the Pseudomonas Aeruginosa Exos Toxin Downregulates Rac
Nat.Struct.Biol., 8, 2001
7TIH
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BU of 7tih by Molmil
Structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ishigami, I, Rousseau, D.L, Yeh, S.-R, Russi, S, Cohen, A.
Deposit date:2022-01-13
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase.
J.Biol.Chem., 298, 2022
7TIE
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BU of 7tie by Molmil
Structure of oxidized bovine cytochrome c oxidase at 1.90 Angstrom resolution obtained by synchrotron X-rays
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ishigami, I, Rousseau, D.L, Yeh, S.-R.
Deposit date:2022-01-13
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase.
J.Biol.Chem., 298, 2022

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