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3RK0
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BU of 3rk0 by Molmil
X-ray crystal Structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with AMP from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR23
Descriptor: ADENOSINE MONOPHOSPHATE, N-type ATP pyrophosphatase superfamily
Authors:Forouhar, F, Saadat, N, Hussain, M, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-16
Release date:2011-05-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding.
Acta Crystallogr.,Sect.F, 67, 2011
3RK1
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BU of 3rk1 by Molmil
'X-ray crystal Structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with ATP from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR23
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, N-type ATP pyrophosphatase superfamily, PHOSPHATE ION
Authors:Forouhar, F, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-16
Release date:2011-05-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A large conformational change in the putative ATP pyrophosphatase PF0828 induced by ATP binding.
Acta Crystallogr.,Sect.F, 67, 2011
3SGI
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BU of 3sgi by Molmil
Crystal structure of DNA ligase A BRCT domain deleted mutant of Mycobacterium tuberculosis
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase
Authors:Kukshal, V, Ravishankar, R.
Deposit date:2011-06-15
Release date:2012-06-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal Structure of Domain deleted mutant of Mycobacterium tuberculosis NAD+ dependent DNA ligase capture the AMP cofactor in a new state
To be Published
5OON
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BU of 5oon by Molmil
Structure of Undecaprenyl-Pyrophosphate Phosphatase, BacA
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ...
Authors:Huang, C.-Y, Olieric, V, Warshamanage, R, Wang, M, Howe, N, Ghachi, M.E.I, Weichert, D, Kerff, F, Stansfeld, P, Touze, T, Caffrey, M.
Deposit date:2017-08-08
Release date:2018-03-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of undecaprenyl-pyrophosphate phosphatase and its role in peptidoglycan biosynthesis.
Nat Commun, 9, 2018
7FEV
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BU of 7fev by Molmil
Crystal structure of Old Yellow Enzyme6 (OYE6)
Descriptor: FLAVIN MONONUCLEOTIDE, FMN binding
Authors:Singh, Y, Sharma, R, Mishra, M, Verma, P.K, Saxena, A.K.
Deposit date:2021-07-21
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Crystal structure of ArOYE6 reveals a novel C-terminal helical extension and mechanistic insights into the distinct class III OYEs from pathogenic fungi.
Febs J., 289, 2022
7MBJ
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BU of 7mbj by Molmil
Crystal structure of cGMP dependent protein kinase I alpha (PKG I alpha)CNB-A domain with R177Q mutation
Descriptor: cGMP-dependent protein kinase 1
Authors:Kim, J.J, Casteel, D.E, Kim, C.
Deposit date:2021-03-31
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:An auto-inhibited state of protein kinase G and implications for selective activation.
Elife, 11, 2022
7O1D
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BU of 7o1d by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.7
Descriptor: BH32.7 protein
Authors:Levy, C.W.
Deposit date:2021-03-29
Release date:2021-11-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
5YBC
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BU of 5ybc by Molmil
X-ray structure of native ETS-domain domain of Ergp55
Descriptor: GLYCEROL, Transcriptional regulator ERG
Authors:Saxena, A.K, Gangwar, S.P.
Deposit date:2017-09-04
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparative structure analysis of the ETSi domain of ERG3 and its complex with the E74 promoter DNA sequence
Acta Crystallogr F Struct Biol Commun, 74, 2018
5YBD
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BU of 5ybd by Molmil
X-ray structure of ETS domain of Ergp55 in complex with E74DNA
Descriptor: DNA (5'-D(P*AP*CP*CP*GP*GP*AP*AP*GP*T)-3'), DNA (5'-D(P*CP*AP*CP*TP*TP*CP*CP*GP*GP*T)-3'), Transcriptional regulator ERG
Authors:Saxena, A.K, Gangwar, S.P.
Deposit date:2017-09-04
Release date:2018-11-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.769 Å)
Cite:Comparative structure analysis of the ETSi domain of ERG3 and its complex with the E74 promoter DNA sequence
Acta Crystallogr F Struct Biol Commun, 74, 2018
6Z1L
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BU of 6z1l by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.12
Descriptor: 1,2-ETHANEDIOL, BH32.12 protein, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
6Z1K
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BU of 6z1k by Molmil
A de novo Enzyme for the Morita-Baylis-Hillman Reaction BH32.6
Descriptor: 1,2-ETHANEDIOL, BH32.6 protein, CALCIUM ION, ...
Authors:Levy, C.W.
Deposit date:2020-05-13
Release date:2021-08-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Engineering an efficient and enantioselective enzyme for the Morita-Baylis-Hillman reaction.
Nat.Chem., 14, 2022
5EMT
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BU of 5emt by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1)-copper complex
Descriptor: COPPER (II) ION, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Nix, J.C, Finzel, B.C.
Deposit date:2015-11-06
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition by divalent metal ions of human histidine triad nucleotide binding protein1 (hHint1), a regulator of opioid analgesia and neuropathic pain.
Biochem. Biophys. Res. Commun., 491, 2017
8BUX
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BU of 8bux by Molmil
Rab-binding domain of human MiniBAR
Descriptor: 1,2-ETHANEDIOL, Granule associated Rac and RHOG effector protein 1, MAGNESIUM ION, ...
Authors:Pylypenko, O, Hammich, H, Houdusse, A.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:MiniBAR/KIAA0355 is a dual Rac and Rab effector that controls actin contractility and trafficking for successful ciliogenesis
To Be Published
8BUY
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BU of 8buy by Molmil
Rac-binding domain of human MiniBAR
Descriptor: 1,2-ETHANEDIOL, Granule associated Rac and RHOG effector protein 1, SULFATE ION
Authors:Pylypenko, O, Hammich, H, Houdusse, A.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MiniBAR/KIAA0355 is a dual Rac and Rab effector that controls actin contractility and trafficking for successful ciliogenesis
To Be Published
5I2E
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BU of 5i2e by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound Sulfamate Inhibitor 3a:3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine
Descriptor: 3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine, GLYCEROL, Histidine triad nucleotide-binding protein 1
Authors:Strom, A.M, Finzel, B.C, Wagner, C.R.
Deposit date:2016-02-08
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
5IPC
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BU of 5ipc by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside thiophosphoramidate substrate complex
Descriptor: 1,2-ETHANEDIOL, 5'-S-[(S)-hydroxy{[2-(1H-indol-3-yl)ethyl]amino}phosphoryl]-5'-thioguanosine, CHLORIDE ION, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
5IPD
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BU of 5ipd by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate covalent intermediate complex
Descriptor: 5'-S-phosphono-5'-thioguanosine, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
5IPB
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BU of 5ipb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
5I2F
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BU of 5i2f by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS
Descriptor: 1,2-ETHANEDIOL, 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-02-08
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
2NV9
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BU of 2nv9 by Molmil
The X-ray Crystal Structure of the Paramecium bursaria Chlorella virus arginine decarboxylase
Descriptor: A207R protein, arginine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Shah, R.H, Akella, R, Goldsmith, E, Phillips, M.A.
Deposit date:2006-11-11
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray Structure of Paramecium bursaria Chlorella Virus Arginine Decarboxylase: Insight into the Structural Basis for Substrate Specificity.
Biochemistry, 46, 2007
5IPE
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BU of 5ipe by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex
Descriptor: 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
2NVA
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BU of 2nva by Molmil
The X-ray crystal structure of the Paramecium bursaria Chlorella virus arginine decarboxylase bound to agmatine
Descriptor: (4-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, arginine decarboxylase, A207R protein
Authors:Shah, R.H, Akella, R, Goldsmith, E, Phillips, M.A.
Deposit date:2006-11-11
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray Structure of Paramecium bursaria Chlorella Virus Arginine Decarboxylase: Insight into the Structural Basis for Substrate Specificity.
Biochemistry, 46, 2007
4J5S
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BU of 4j5s by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 ADP-ribose complex
Descriptor: 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, BORATE ION, ...
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
4J5Q
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BU of 4j5q by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1, apo structure
Descriptor: O-acetyl-ADP-ribose deacetylase 1
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
4J5R
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BU of 4j5r by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 bound to ADP-HPD
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, CHLORIDE ION, ...
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013

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