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5XHN
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BU of 5xhn by Molmil
Crystal structure of Frog M-ferritin K104E mutant
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Jagdev, M.K, Vasudevan, D.
Deposit date:2017-04-21
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Surface charge dependent separation of modified and hybrid ferritin in native PAGE: Impact of lysine 104
Biochim. Biophys. Acta, 1865, 2017
7UZD
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BU of 7uzd by Molmil
Structure of the SARS-CoV-2 RBD in complex with the mouse antibody Fab fragment, HSW-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HSW-2 Fab heavy chain, HSW-2 Fab light chain, ...
Authors:Fan, C, Bjorkman, P.J.
Deposit date:2022-05-08
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Neutralizing monoclonal antibodies elicited by mosaic RBD nanoparticles bind conserved sarbecovirus epitopes.
Immunity, 55, 2022
7UDQ
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BU of 7udq by Molmil
Crystal structure of COQ8A-CA157 inhibitor complex in space group P1
Descriptor: 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial, ...
Authors:Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J.
Deposit date:2022-03-20
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small-molecule inhibition of the archetypal UbiB protein COQ8.
Nat.Chem.Biol., 19, 2023
5XHW
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BU of 5xhw by Molmil
Crystal structure of HddC from Yersinia pseudotuberculosis
Descriptor: Putative 6-deoxy-D-mannoheptose pathway protein, SULFATE ION
Authors:Park, J, Kim, H, Kim, S, Shin, D.H.
Deposit date:2017-04-24
Release date:2018-04-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of d-glycero-alpha-d-manno-heptose-1-phosphate guanylyltransferase from Yersinia pseudotuberculosis.
Biochim. Biophys. Acta, 1866, 2018
6N2A
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BU of 6n2a by Molmil
Meso-Diaminopimelate Decarboxylase from Arabidopsis thaliana (Isoform 1)
Descriptor: Diaminopimelate decarboxylase 1, chloroplastic, LYSINE, ...
Authors:Crowther, J.M, Dobson, R.C.J.
Deposit date:2018-11-12
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Active site gating provides stereochemical control for meso-diaminopimelate decarboxylase
To Be Published
7UU6
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BU of 7uu6 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
Descriptor: 3C-like proteinase nsp5
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-04-28
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UU8
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BU of 7uu8 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
Descriptor: 3C-like proteinase nsp5
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-04-28
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUC
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BU of 7uuc by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI19
Descriptor: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-04-28
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UU7
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BU of 7uu7 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
Descriptor: 3C-like proteinase nsp5
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-04-28
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
7UUB
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BU of 7uub by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-04-28
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
5FH6
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BU of 5fh6 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
Descriptor: (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5JBD
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BU of 5jbd by Molmil
4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Pijning, T, Dijkstra, B.W, Bai, Y, Gangoiti-Munecas, J, Dijkhuizen, L.
Deposit date:2016-04-13
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of 4,6-alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from alpha-Amylases in Oral Bacteria.
Structure, 25, 2017
5FHF
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BU of 5fhf by Molmil
Crystal structure of Bacteroides sp Pif1 in complex with ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TETRAFLUOROALUMINATE ION, Uncharacterized protein
Authors:Zhou, X, Ren, W, Bharath, S.R, Song, H.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
5XAL
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BU of 5xal by Molmil
Y99F mutant of Thermus thermophilus HB8 thymidylate kinase
Descriptor: FORMIC ACID, MAGNESIUM ION, Thymidylate kinase
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
7UUA
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BU of 7uua by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
Descriptor: 3C-like proteinase nsp5, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-04-28
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
5J5B
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BU of 5j5b by Molmil
Structure of the WT E coli ribosome bound to tetracycline
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-01
Release date:2016-07-27
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
6MGE
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BU of 6mge by Molmil
Structure of human 4-1BBL
Descriptor: GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-13
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
7UU9
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BU of 7uu9 by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
Descriptor: 3C-like proteinase nsp5
Authors:Yang, K.S, Liu, W.R.
Deposit date:2022-04-28
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
5FAJ
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BU of 5faj by Molmil
Alanine Racemase from Streptomyces coelicolor A3(2) in complex with D-Cycloserine
Descriptor: Alanine racemase, CHLORIDE ION, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, ...
Authors:Tassoni, R, Pannu, N.S.
Deposit date:2015-12-11
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural and functional characterization of the alanine racemase from Streptomyces coelicolor A3(2).
Biochem. Biophys. Res. Commun., 483, 2017
8Q5Z
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BU of 8q5z by Molmil
Crystal structure of bovine Thiosulfate sulfurtransferase
Descriptor: SODIUM ION, Thiosulfate sulfurtransferase
Authors:Goor, H.v, Groves, M.R, AL-Dahmani, Z.M, Wang, C.
Deposit date:2023-08-10
Release date:2023-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of bovine Thiosulfate sulfurtransferase
To Be Published
6MH9
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BU of 6mh9 by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein A121I mutant to 2.02 Angstrom resolution
Descriptor: Fatty Acid Kinase (Fak) B1 protein, PALMITIC ACID
Authors:Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2018-09-17
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
7V9E
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BU of 7v9e by Molmil
Crystal structure of a methyl transferase ribozyme
Descriptor: BARIUM ION, GUANINE, RNA (68-MER), ...
Authors:Deng, J, Lilley, D.M.J, Huang, L.
Deposit date:2021-08-25
Release date:2022-03-23
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and mechanism of a methyltransferase ribozyme.
Nat.Chem.Biol., 18, 2022
5JEE
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BU of 5jee by Molmil
Apo-structure of humanised RadA-mutant humRadA26F
Descriptor: CALCIUM ION, DNA repair and recombination protein RadA
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-18
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
7VL4
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BU of 7vl4 by Molmil
The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with methyl beta-D-glucoside
Descriptor: CALCIUM ION, beta-1,2-glucosyltransferase, methyl beta-D-glucopyranoside
Authors:Kobayashi, K, Shimizu, H, Tanaka, N, Kuramochi, K, Nakai, H, Nakajima, M, Taguchi, H.
Deposit date:2021-10-01
Release date:2022-03-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages.
J.Biol.Chem., 298, 2022
5XE1
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BU of 5xe1 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with INCB14943
Descriptor: 4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xu, J, Wu, U, Liu, J.
Deposit date:2017-03-31
Release date:2017-05-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into the binding mechanism of IDO1 with hydroxylamidine based inhibitor INCB14943
Biochem. Biophys. Res. Commun., 487, 2017

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PDB entries from 2024-10-02

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