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1YBZ
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BU of 1ybz by Molmil
Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
Descriptor: UNKNOWN ATOM OR ION, chorismate mutase
Authors:Lee, D, Chen, L, Nguyen, D, Dillard, B.D, Tempel, W, Habel, J, Zhou, W, Chang, S.-H, Kelley, L.-L.C, Liu, Z.-J, Lin, D, Zhang, H, Praissman, J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-21
Release date:2005-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
To be published
1Y82
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BU of 1y82 by Molmil
Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
Descriptor: UNKNOWN ATOM OR ION, hypothetical protein
Authors:Horanyi, P, Tempel, W, Habel, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-10
Release date:2005-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
To be published
2MNS
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BU of 2mns by Molmil
Solution NMR structure of the reovirus p15 fusion-associated small transmembrane (FAST) protein fusion-inducing lipid packing sensor (FLiPS) motif in dodecyl phosphocholine (DPC) micelles
Descriptor: Membrane fusion protein p15
Authors:Sarker, M, Duncan, R, Read, J, Rainey, J.
Deposit date:2014-04-09
Release date:2014-04-23
Method:SOLUTION NMR
Cite:Novel helix-loop-helix fusion-inducing lipid packing sensor (FLiPS) for cell-cell fusion
To be Published
6B30
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BU of 6b30 by Molmil
Structure of RORgt in complex with a novel inverse agonist 1
Descriptor: N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Nuclear receptor ROR-gamma
Authors:Skene, R.J, Hoffman, I.
Deposit date:2017-09-20
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds.
Bioorg. Med. Chem., 26, 2018
2X9H
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BU of 2x9h by Molmil
CRYSTAL STRUCTURE OF MYOSIN-2 MOTOR DOMAIN IN COMPLEX WITH ADP- METAVANADATE AND PENTACHLOROCARBAZOLE
Descriptor: 2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL, ADP METAVANADATE, MAGNESIUM ION, ...
Authors:Selvadurai, J, Kirst, J, Knoelker, H.J, Manstein, D.J.
Deposit date:2010-03-19
Release date:2011-05-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole
To be Published
2OXB
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BU of 2oxb by Molmil
Crystal structure of a cell-wall invertase (E203Q) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Lammens, W, Le Roy, K, Van Laere, A, Van den Ende, W, Rabijns, A.
Deposit date:2007-02-20
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An alternate sucrose binding mode in the E203Q Arabidopsis invertase mutant: An X-ray crystallography and docking study.
Proteins, 71, 2007
7S91
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BU of 7s91 by Molmil
Structure of the malate racemase mar2 apoprotein from Thermoanaerobacterium thermosaccharolyticum at 2.25 angstroms resolution
Descriptor: CHLORIDE ION, Malate racemase Mar2
Authors:Gatreddi, S, Hausinger, R.P, Hu, J.
Deposit date:2021-09-20
Release date:2021-10-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and mutational characterization of a malate racemase from the LarA superfamily.
Biometals, 36, 2023
8SMQ
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BU of 8smq by Molmil
Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2023-04-26
Release date:2023-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
4OQA
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BU of 4oqa by Molmil
Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Descriptor: (2Z)-2-(2,4-dihydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, DNA (26-MER), Poly [ADP-ribose] polymerase 1, ...
Authors:Pascal, J.M, Steffen, J.D.
Deposit date:2014-02-07
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Discovery and Structure-Activity Relationship of Novel 2,3-Dihydrobenzofuran-7-carboxamide and 2,3-Dihydrobenzofuran-3(2H)-one-7-carboxamide Derivatives as Poly(ADP-ribose)polymerase-1 Inhibitors.
J.Med.Chem., 57, 2014
6D6Z
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BU of 6d6z by Molmil
Structure of the malate racemase apoprotein from Thermoanaerobacterium thermosaccharolyticum
Descriptor: Malate racemase Mar2
Authors:Fellner, M, Hausinger, R.P, Hu, J.
Deposit date:2018-04-23
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Uncovering a superfamily of nickel-dependent hydroxyacid racemases and epimerases.
Sci Rep, 10, 2020
6DSQ
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BU of 6dsq by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6DSS
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BU of 6dss by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6DSR
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BU of 6dsr by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8EJ9
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BU of 8ej9 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
Deposit date:2022-09-16
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8EJ7
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BU of 8ej7 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
Deposit date:2022-09-16
Release date:2023-05-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8OKH
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BU of 8okh by Molmil
Crystal structure of Bdellovibrio bacteriovorus Bd1399
Descriptor: 1,2-ETHANEDIOL, DUF2807 domain-containing protein, GLYCEROL
Authors:Caulton, S.G, Lovering, A.L.
Deposit date:2023-03-28
Release date:2023-10-25
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
4TYO
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BU of 4tyo by Molmil
PPIase in complex with a non-phosphate small molecule inhibitor.
Descriptor: 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Greasley, S.E, Ferre, R.A.
Deposit date:2014-07-08
Release date:2014-08-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
Bioorg.Med.Chem.Lett., 24, 2014
6XFI
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BU of 6xfi by Molmil
Crystal Structures of beta-1,4-N-Acetylglucosaminyltransferase 2 (POMGNT2): Structural Basis for Inherited Muscular Dystrophies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ...
Authors:Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N.
Deposit date:2020-06-15
Release date:2021-04-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies.
Acta Crystallogr D Struct Biol, 77, 2021
6XI2
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BU of 6xi2 by Molmil
Apo form of POMGNT2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, ALA-GLY-ALA-GLY-ALA-ALA-ALA-ALA-ALA-ALA, ...
Authors:Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N.
Deposit date:2020-06-19
Release date:2021-04-21
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies.
Acta Crystallogr D Struct Biol, 77, 2021
6NT2
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BU of 6nt2 by Molmil
type 1 PRMT in complex with the inhibitor GSK3368715
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ...
Authors:Concha, N.O.
Deposit date:2019-01-28
Release date:2019-07-10
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss.
Cancer Cell, 36, 2019
6NY2
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BU of 6ny2 by Molmil
CasX-gRNA-DNA(45bp) state I
Descriptor: CasX, DNA Non-target strand, DNA target strand, ...
Authors:Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
Deposit date:2019-02-10
Release date:2019-02-27
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6NY1
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BU of 6ny1 by Molmil
CasX-gRNA-DNA(30bp) State II
Descriptor: CasX, DNA Non-target strand, DNA target strand, ...
Authors:Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
Deposit date:2019-02-10
Release date:2019-02-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6NY3
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BU of 6ny3 by Molmil
CasX ternary complex with 30bp target DNA
Descriptor: CasX, DNA Non-target strand, DNA target strand, ...
Authors:Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
Deposit date:2019-02-10
Release date:2019-02-27
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
8DJJ
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BU of 8djj by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
Deposit date:2022-06-30
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DI3
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BU of 8di3 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
Deposit date:2022-06-28
Release date:2023-05-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023

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