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6Z8G
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BU of 6z8g by Molmil
Crystal structure of VSG13 soaked in 0.5 M used to phase VSG13 to solve the structure.
Descriptor: BROMIDE ION, SULFATE ION, Variant surface glycoprotein MITat 1.13, ...
Authors:Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J.
Deposit date:2020-06-02
Release date:2021-03-17
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
6Z79
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BU of 6z79 by Molmil
Variant Surface Glycoprotein VSGsur, I3C ("Magic Triangle") derivative used for phasing of the structure and subsequently as a model for molecular replacement of native, mutants, and drug soaks.
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2020-05-30
Release date:2021-03-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
6Z8H
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BU of 6z8h by Molmil
Crystal structure of Variant Surface Glycoprotein VSG13
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Variant surface glycoprotein MITat 1.13, ...
Authors:Stebbins, C.E, Hempelmann, A, Van Straaten, M, Zeelen, J.
Deposit date:2020-06-02
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
3OND
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BU of 3ond by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
5GG6
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BU of 5gg6 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP
Descriptor: 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
Deposit date:2016-06-15
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
5GGB
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BU of 5ggb by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP
Descriptor: 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein
Authors:Arif, S.M, Patil, A.G, Varshney, U, Vijayan, M.
Deposit date:2016-06-15
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Biochemical and structural studies of Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association
Acta Crystallogr D Struct Biol, 73, 2017
3DNI
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BU of 3dni by Molmil
CRYSTALLOGRAPHIC REFINEMENT AND STRUCTURE OF DNASE I AT 2 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, DEOXYRIBONUCLEASE I, alpha-D-galactopyranose-(1-6)-beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Oefner, C, Suck, D.
Deposit date:1992-08-20
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic refinement and structure of DNase I at 2 A resolution.
J.Mol.Biol., 192, 1986
6Z4T
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BU of 6z4t by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 2-Amino-3-(thiazol-5-yl)propanoic acid as axial heme ligand
Descriptor: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M, Hilvert, D, Mittl, P.R.E.
Deposit date:2020-05-25
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZD2
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BU of 6zd2 by Molmil
Structure of apo telomerase from Candida Tropicalis truncated from C-terminal domain
Descriptor: SODIUM ION, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-13
Release date:2021-04-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZCC
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BU of 6zcc by Molmil
X-ray structure of the Haloalkane dehalogenase HOB (HaloTag7-based Oligonucleotide Binder) labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate
Descriptor: ACETATE ION, CALCIUM ION, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2020-06-10
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
6ZDQ
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BU of 6zdq by Molmil
Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA
Descriptor: RNA, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZDU
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BU of 6zdu by Molmil
Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA
Descriptor: Chains: C,D, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
8IYI
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BU of 8iyi by Molmil
Spermidine synthase from Kluyveromyces lactis
Descriptor: KLLA0B09372p
Authors:Kim, S, Chang, J.H.
Deposit date:2023-04-05
Release date:2023-06-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Spermidine Synthase from Kluyveromyces lactis.
Molecules, 28, 2023
6ZD1
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BU of 6zd1 by Molmil
Structure of apo telomerase from Candida Tropicalis
Descriptor: Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-13
Release date:2021-04-28
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6Z4R
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BU of 6z4r by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 3-thienylalanine as axial heme ligand
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M, Hilvert, D, Mittl, P.R.E.
Deposit date:2020-05-25
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZD6
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BU of 6zd6 by Molmil
Structure of apo telomerase from Candida Tropicalis
Descriptor: Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-13
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZDP
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BU of 6zdp by Molmil
Structure of telomerase from Candida Tropicalis in complexe with TWJ fragment of telomeric RNA
Descriptor: Chains: B, POTASSIUM ION, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
8IWL
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BU of 8iwl by Molmil
A.baumannii Uncharacterized sugar kinase ydjH
Descriptor: Uncharacterized sugar kinase YdjH
Authors:Lee, G.H, Park, H.H.
Deposit date:2023-03-30
Release date:2023-05-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure of YdjH from Acinetobacter baumannii revealed an active site of YdjH family sugar kinase.
Biochem.Biophys.Res.Commun., 664, 2023
5HU1
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BU of 5hu1 by Molmil
BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide
Descriptor: Beta-secretase 1, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
Authors:Orth, P.
Deposit date:2016-01-27
Release date:2016-11-09
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
4X7L
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BU of 4x7l by Molmil
Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
Descriptor: 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
Authors:Shaffer, P.L, Long, A.M, Chen, H.
Deposit date:2014-12-09
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
3P4V
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BU of 3p4v by Molmil
Human carbonic anhydrase II in complex with (+)-Xylariamide A
Descriptor: 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine, Carbonic anhydrase 2, ZINC ION
Authors:Hofmann, A, Nankervis, T, Davis, R.
Deposit date:2010-10-07
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases.
J.Med.Chem., 54, 2011
8JRB
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BU of 8jrb by Molmil
Structure of DNA polymerase 1 from Aquifex pyrophilus
Descriptor: DNA polymerase I
Authors:Clement, P, Nair, D.T.
Deposit date:2023-06-16
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A conserved polar residue plays a critical role in mismatch detection in A-family DNA polymerases.
Int.J.Biol.Macromol., 269, 2024
3NB5
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BU of 3nb5 by Molmil
Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Hofmann, A, Osman, A, Davis, R.A.
Deposit date:2010-06-02
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases
J.Med.Chem., 54, 2011
5FPP
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BU of 5fpp by Molmil
Structure of a pre-reaction ternary complex between sarin- acetylcholinesterase and HI-6
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ...
Authors:Allgardsson, A, Berg, L, Akfur, C, Hornberg, A, Worek, F, Linusson, A, Ekstrom, F.
Deposit date:2015-12-02
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a Prereaction Complex between the Nerve Agent Sarin, its Biological Target Acetylcholinesterase, and the Antidote Hi-6.
Proc.Natl.Acad.Sci.USA, 113, 2016
5HNY
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BU of 5hny by Molmil
Structural basis of backwards motion in kinesin-14: plus-end directed nKn669 in the AMPPNP state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Shigematsu, H, Yokoyama, T, Kikkawa, M, Shirouzu, M, Nitta, R.
Deposit date:2016-01-19
Release date:2016-08-10
Last modified:2016-11-02
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Structural Basis of Backwards Motion in Kinesin-1-Kinesin-14 Chimera: Implication for Kinesin-14 Motility
Structure, 24, 2016

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