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5WMW
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BU of 5wmw by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
7Q37
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BU of 7q37 by Molmil
Crystal structure of proton pump MAR rhodopsin pressurized with krypton
Descriptor: Bacteriorhodopsin, EICOSANE, HEXANE, ...
Authors:Melnikov, I, Rulev, M, Astashkin, R, Kovalev, K, Carpentier, P, Gordeliy, V, Popov, A.
Deposit date:2021-10-27
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:High-pressure crystallography shows noble gas intervention into protein-lipid interaction and suggests a model for anaesthetic action.
Commun Biol, 5, 2022
7NU3
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BU of 7nu3 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant in Complex with ATP and L-leucinol
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-METHYL-PENTAN-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7W4R
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BU of 7w4r by Molmil
Structure of the M. tuberculosis HtrA N269A mutant at room-temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4W
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BU of 7w4w by Molmil
Structure of the M. tuberculosis HtrA K436A mutant at room-temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7NTZ
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BU of 7ntz by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS L550A mutant in Complex with the Reaction Intermediate Leu-AMP
Descriptor: Leucine--tRNA ligase, MAGNESIUM ION, ZINC ION, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
5WO2
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BU of 5wo2 by Molmil
Chaperone Spy bound to Casein Fragment (Casein un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
5LF2
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BU of 5lf2 by Molmil
Crystal structure of laminin beta2 LE5-LF-LE6
Descriptor: CALCIUM ION, CHLORIDE ION, Laminin subunit beta-2
Authors:Pulido, D, Hohenester, E.
Deposit date:2016-06-30
Release date:2016-07-27
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystallographic analysis of the laminin beta 2 short arm reveals how the LF domain is inserted into a regular array of LE domains.
Matrix Biol., 57-58, 2017
8D5D
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BU of 8d5d by Molmil
Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-arginine
Descriptor: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, D-ornithine/D-lysine decarboxylase, DIMETHYL SULFOXIDE, ...
Authors:Phillips, R.S, Nguyen Hoang, K.N.
Deposit date:2022-06-04
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
5FLF
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BU of 5flf by Molmil
DISEASE LINKED MUTATION IN FGFR
Descriptor: ACETATE ION, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ...
Authors:Thiyagarajan, N, Bunney, T.D, Katan, M.
Deposit date:2015-10-26
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Landscape of Activating Cancer Mutations in Fgfr Kinases and Their Differential Responses to Inhibitors in Clinical Use.
Oncotarget, 7, 2016
7W86
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BU of 7w86 by Molmil
Crystal structure of the DYW domain of DYW1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Sawada, Y, Shimizu, H, Toma-Fukai, S, Shimizu, T.
Deposit date:2021-12-07
Release date:2022-12-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into the activation of an Arabidopsis organellar C-to-U RNA editing enzyme by active site complementation.
Plant Cell, 35, 2023
7Q36
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BU of 7q36 by Molmil
Crystal structure of KR2 sodium pump rhodopsin pressurized with krypton
Descriptor: EICOSANE, HEXANE, KRYPTON, ...
Authors:Melnikov, I, Rulev, M, Astashkin, R, Kovalev, K, Carpentier, P, Gordeliy, V, Popov, A.
Deposit date:2021-10-27
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:High-pressure crystallography shows noble gas intervention into protein-lipid interaction and suggests a model for anaesthetic action.
Commun Biol, 5, 2022
7NUA
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BU of 7nua by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS L550G mutant
Descriptor: Leucine--tRNA ligase, MAGNESIUM ION, ZINC ION
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7NR1
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BU of 7nr1 by Molmil
Crystal structure of holo-S116A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1
Descriptor: HpcH/HpaI aldolase, MAGNESIUM ION
Authors:Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-03-02
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
5WPN
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BU of 5wpn by Molmil
Zn-bound Structure of Chaetopterus variopedatus Ferritin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:De Meulenaere, E, Bailey, J.B, Tezcan, F.A, Deheyn, D.
Deposit date:2017-08-05
Release date:2017-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:First biochemical and crystallographic characterization of a fast-performing ferritin from a marine invertebrate.
Biochem. J., 474, 2017
8D88
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BU of 8d88 by Molmil
Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-lysine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, D-ornithine/D-lysine decarboxylase, ...
Authors:Phillips, R.S, Nguyen Hoang, K.N.
Deposit date:2022-06-08
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
5FJS
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BU of 5fjs by Molmil
Bacterial beta-glucosidase reveals the structural and functional basis of genetic defects in human glucocerebrosidase 2 (GBA2)
Descriptor: CALCIUM ION, GLUCOSYLCERAMIDASE
Authors:Charoenwattanasatien, R, Pengthaisong, S, Breen, I, Mutoha, R, Sansenya, S, Hua, Y, Tankrathok, A, Wu, L, Songsiriritthigul, C, Tanaka, H, Williams, S.J, Davies, G.J, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-10-12
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Bacterial Beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (Gba2)
Acs Chem.Biol., 11, 2016
7NUB
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BU of 7nub by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS L550G mutant in Complex with the Reaction Intermediate Leu-AMP
Descriptor: Leucine--tRNA ligase, MAGNESIUM ION, ZINC ION, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7Q38
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BU of 7q38 by Molmil
Crystal structure of the mutant bacteriorhodopsin pressurized with argon
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ARGON, Bacteriorhodopsin, ...
Authors:Melnikov, I, Rulev, M, Astashkin, R, Kovalev, K, Carpentier, P, Gordeliy, V, Popov, A.
Deposit date:2021-10-27
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-pressure crystallography shows noble gas intervention into protein-lipid interaction and suggests a model for anaesthetic action.
Commun Biol, 5, 2022
7NSN
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BU of 7nsn by Molmil
Multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis: mannoimidazole complex
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Kolaczkowski, B.M, Moroz, O.V, Blagova, E, Davies, G.J, Wilson, K.S, Moeler, M.S, Meyer, A.S, Westh, P, Jensen, K, Krogh, K.B.R.M.
Deposit date:2021-03-08
Release date:2022-09-21
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural and functional characterization of a multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis.
Acta Crystallogr D Struct Biol, 79, 2023
5LGZ
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BU of 5lgz by Molmil
Structure of Photoreduced Pentaerythritol Tetranitrate Reductase
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ISOPROPYL ALCOHOL, Pentaerythritol tetranitrate reductase
Authors:Kwon, H, Smith, O.M, Moody, P.C.E.
Deposit date:2016-07-08
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining X-ray and neutron crystallography with spectroscopy.
Acta Crystallogr D Struct Biol, 73, 2017
7PNP
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BU of 7pnp by Molmil
Human Angiogenin mutant-S28A
Descriptor: Angiogenin
Authors:Papaioannou, O.S.E, Leonidas, D.D.
Deposit date:2021-09-07
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Characterization of the Human Angiogenin-Proliferating Cell Nuclear Antigen Interaction.
Biochemistry, 2023
7NUJ
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BU of 7nuj by Molmil
Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1
Descriptor: HpcH/HpaI aldolase, MAGNESIUM ION
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-03-12
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
5FNI
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BU of 5fni by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5LHF
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BU of 5lhf by Molmil
Phosphoribosyl anthranilate isomerase from Thermococcus kodakaraensis
Descriptor: CHLORIDE ION, N-(5'-phosphoribosyl)anthranilate isomerase, SODIUM ION
Authors:Perveen, S, Rashid, N, Papageorgiou, A.C.
Deposit date:2016-07-11
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a phosphoribosyl anthranilate isomerase from the hyperthermophilic archaeon Thermococcus kodakaraensis.
Acta Crystallogr F Struct Biol Commun, 72, 2016

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