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4LCG
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BU of 4lcg by Molmil
Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-050 complex
Descriptor: (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-06-21
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.568 Å)
Cite:Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
8GFK
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BU of 8gfk by Molmil
Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304
Descriptor: 3C-like proteinase nsp5
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-03-08
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J.Biol.Chem., 299, 2023
4BXO
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BU of 4bxo by Molmil
Architecture and DNA recognition elements of the Fanconi anemia FANCM- FAAP24 complex
Descriptor: 5'-D(*GP*AP*TP*GP*AP*TP*GP*CP*TP*GP*CP)-3', 5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*AP*TP*CP)-3', CALCIUM ION, ...
Authors:Coulthard, R, Deans, A, Swuec, P, Bowles, M, Purkiss, A, Costa, A, West, S, McDonald, N.
Deposit date:2013-07-15
Release date:2013-08-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Architecture and DNA Recognition Elements of the Fanconi Anemia Fancm-Faap24 Complex.
Structure, 21, 2013
3MHH
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BU of 3mhh by Molmil
Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module
Descriptor: Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ...
Authors:Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C.
Deposit date:2010-04-08
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into the assembly and function of the SAGA deubiquitinating module.
Science, 328, 2010
8FB0
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BU of 8fb0 by Molmil
H64Q Myoglobin in complex with acetamide
Descriptor: ACETAMIDE, GLYCEROL, Myoglobin, ...
Authors:Powell, S.M, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2022-11-29
Release date:2023-06-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Interactions of metronidazole and chloramphenicol with myoglobin: Crystal structure of a Mb-acetamide product.
J Porphyr Phthalocyanines, 27, 2023
8FIE
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BU of 8fie by Molmil
Crystal Structure of Erwinia tracheiphila CYP114 mutant - A261D
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Stewart Jr, C.E, Alexander, L.E, Nagel, R.
Deposit date:2022-12-16
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FDL
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BU of 8fdl by Molmil
Human Hemoglobin with Nitrosochloramphenicol
Descriptor: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
Deposit date:2022-12-03
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
4N9R
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BU of 4n9r by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentacholrocarbonyliridate(III) (1 day)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
Deposit date:2013-10-21
Release date:2015-12-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
8FDJ
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BU of 8fdj by Molmil
Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene
Descriptor: Myoglobin, NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Powell, S.M, Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2022-12-03
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
8FDN
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BU of 8fdn by Molmil
Human Hemoglobin with N-tertbutylhydroxylamine
Descriptor: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
Deposit date:2022-12-03
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
4MO8
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BU of 4mo8 by Molmil
The crystal structure of the human carbonic anhydrase II in complex with N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide
Descriptor: Carbonic anhydrase 2, N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2013-09-11
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hypoxia-Targeting Carbonic Anhydrase IX Inhibitors by a New Series of Nitroimidazole-Sulfonamides/Sulfamides/Sulfamates.
J.Med.Chem., 56, 2013
4MYU
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BU of 4myu by Molmil
Crystal structure of elongation factor G mutant(EFG)
Descriptor: Elongation factor G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Liu, G, Dong, J, Gong, W, Qin, Y.
Deposit date:2013-09-28
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Crystal structure of elongation factor G mutant(EFG)
To be published
4N73
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BU of 4n73 by Molmil
Crystal structure of the ligand binding domain (LBD) of REV-ERB beta bound to Cobalt Protoporphyrin IX
Descriptor: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING CO
Authors:Matta-Camacho, E, Kojetin, D.
Deposit date:2013-10-14
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8662 Å)
Cite:Structure of REV-ERB beta Ligand-binding Domain Bound to a Porphyrin Antagonist.
J.Biol.Chem., 289, 2014
8GFN
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BU of 8gfn by Molmil
Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with BBH1
Descriptor: (1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-03-08
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J.Biol.Chem., 299, 2023
4EWD
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BU of 4ewd by Molmil
Study on structure and function relationships in human Pirin with Mn ion
Descriptor: MANGANESE (II) ION, Pirin
Authors:Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A.
Deposit date:2012-04-26
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MUB
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BU of 4mub by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Authors:Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T.
Deposit date:2013-09-21
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
4EDZ
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BU of 4edz by Molmil
Crystal structure of hH-PGDS with water displacing inhibitor
Descriptor: 4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ...
Authors:Day, J.E, Thorarensen, A, Trujillo, J.I.
Deposit date:2012-03-27
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
4ENQ
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BU of 4enq by Molmil
Structure of E530D variant E. coli KatE
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII
Authors:Loewen, P.C, Jha, V.
Deposit date:2012-04-13
Release date:2012-05-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Influence of main channel structure on H(2)O(2) access to the heme cavity of catalase KatE of Escherichia coli.
Arch.Biochem.Biophys., 526, 2012
8V44
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BU of 8v44 by Molmil
N-terminal truncation of CRISPR-associated DinG
Descriptor: CasDinG
Authors:Hallmark, T, Jackson, R.N.
Deposit date:2023-11-28
Release date:2024-01-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The N-terminal domain of Type IV-A1 CRISPR-associated DinG is vulnerable to proteolysis.
MicroPubl Biol, 2024, 2024
8ELX
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BU of 8elx by Molmil
HRAS R97I Crystal Form 1
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
4N0X
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BU of 4n0x by Molmil
Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide
Descriptor: Carbonic anhydrase 2, ZINC ION, thiophene-2-sulfonamide
Authors:Fisher, S.Z, Williams, R.F.
Deposit date:2013-10-02
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide
To be Published
8ELT
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BU of 8elt by Molmil
HRAS R97G Crystal Form 2
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELV
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BU of 8elv by Molmil
HRAS R97I Crystal Form 2
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8EM0
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BU of 8em0 by Molmil
HRAS R97V Crystal Form 1
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.109 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELR
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BU of 8elr by Molmil
HRAS R97F Crystal Form 2
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023

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PDB entries from 2024-08-21

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