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1FAD
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BU of 1fad by Molmil
DEATH DOMAIN OF FAS-ASSOCIATED DEATH DOMAIN PROTEIN, RESIDUES 89-183
Descriptor: PROTEIN (FADD PROTEIN)
Authors:Jeong, E.-J, Bang, S, Lee, T.H, Park, Y.-I, Sim, W.-S, Kim, K.-S.
Deposit date:1999-03-23
Release date:1999-07-06
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The solution structure of FADD death domain. Structural basis of death domain interactions of Fas and FADD.
J.Biol.Chem., 274, 1999
7M63
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BU of 7m63 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099
Descriptor: (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1
Authors:Leonard, P.G, Cross, J.B.
Deposit date:2021-03-25
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
1FC7
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BU of 1fc7 by Molmil
PHOTOSYSTEM II D1 C-TERMINAL PROCESSING PROTEASE
Descriptor: PHOTOSYSTEM II D1 PROTEASE
Authors:Liao, D.I, Qian, J, Chisholm, D.A, Jordan, D.B, Diner, B.A.
Deposit date:2000-07-18
Release date:2001-01-18
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the photosystem II D1 C-terminal processing protease.
Nat.Struct.Biol., 7, 2000
6VAX
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BU of 6vax by Molmil
Crystal structure of human SDHA-SDHAF2 assembly intermediate
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
Deposit date:2019-12-18
Release date:2020-08-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The roles of SDHAF2 and dicarboxylate in covalent flavinylation of SDHA, the human complex II flavoprotein.
Proc.Natl.Acad.Sci.USA, 117, 2020
6CC7
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BU of 6cc7 by Molmil
Structure of Fungal GH62 from Thielavia terretris
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glycoside hydrolase family 62 protein, ...
Authors:Camargo, S, Mulinari, E.J, Almeida, L.R, Muniz, J.R.C.
Deposit date:2018-02-06
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of Fungal GH62 from Thielavia terretris
To Be Published
6LTF
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BU of 6ltf by Molmil
Dimeric isocitrate dehydrogenase from Xanthomonas campestris pv. campestris 8004
Descriptor: BENZOIC ACID, Isocitrate dehydrogenase
Authors:Zhu, G.P.
Deposit date:2020-01-22
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Dimeric isocitrate dehydrogenase from Xanthomonas campestris pv. campestris 8004
To Be Published
6VCM
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BU of 6vcm by Molmil
Crystal structure of E.coli RppH-DapF in complex with GTP, Mg2+ and F-
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ...
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
8E2W
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BU of 8e2w by Molmil
Structure of CRISPR-Associated DinG
Descriptor: CasDinG
Authors:Domgaard, H, Jackson, R.N.
Deposit date:2022-08-16
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:CasDinG is a 5'-3' dsDNA and RNA/DNA helicase with three accessory domains essential for type IV CRISPR immunity.
Nucleic Acids Res., 51, 2023
5MYB
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BU of 5myb by Molmil
Homodimerization of Tie2 Fibronectin-like domains 2 and 3 in space group P21
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ...
Authors:Leppanen, V.-M, Saharinen, P, Alitalo, K.
Deposit date:2017-01-26
Release date:2017-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8E07
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BU of 8e07 by Molmil
Crystal structure of HPSE P6 in complex with triose pentosan inhibitor
Descriptor: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, AMMONIUM ION, ...
Authors:Whitefield, C, Jackson, C.J.
Deposit date:2022-08-08
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
6VHE
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BU of 6vhe by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, KT130 bound
Descriptor: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Esterase family protein
Authors:Fellner, M, Mace, P.D.
Deposit date:2020-01-09
Release date:2020-09-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
6VDJ
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BU of 6vdj by Molmil
Crystal structure of ancestral apicomplexan lactate dehydrogenase with sulfate and NADH4.
Descriptor: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SULFATE ION, lactate dehydrogenase
Authors:Theobald, D.L, Wirth, J.D, Classen, S, Perlmutter, N.
Deposit date:2019-12-27
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of Bifunctionality in an Ancestral Apicomplexan Malate/Lactate Dehydrogenase
To Be Published
8JRL
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BU of 8jrl by Molmil
Crystal structure of P450 TleB with an indole alkaloid
Descriptor: (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, J, Yan, W.P.
Deposit date:2023-06-17
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering.
Sci China Chem, 66, 2023
6BUN
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BU of 6bun by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
Descriptor: 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
5MLE
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BU of 5mle by Molmil
Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2 13-516) Mutant Y479E/Y499E
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dihydropyrimidinase-related protein 2, ...
Authors:Sethi, R, Zheng, Y, Talon, R, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F.
Deposit date:2016-12-06
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nat Commun, 9, 2018
1FG5
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BU of 1fg5 by Molmil
CRYSTAL STRUCTURE OF BOVINE ALPHA-1,3-GALACTOSYLTRANSFERASE CATALYTIC DOMAIN.
Descriptor: N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE
Authors:Gastinel, L.N, Bignon, C, Shaper, J.H, Joziasse, D.H.
Deposit date:2000-07-28
Release date:2001-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bovine alpha1,3-galactosyltransferase catalytic domain structure and its relationship with ABO histo-blood group and glycosphingolipid glycosyltransferases.
EMBO J., 20, 2001
5MLR
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BU of 5mlr by Molmil
Plantago Major multifunctional oxidoreductase V150M mutant in complex with citral and NADP+
Descriptor: CHLORIDE ION, Geranaldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Fellows, R, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M.
Deposit date:2016-12-07
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily.
Sci Rep, 8, 2018
7M1R
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BU of 7m1r by Molmil
Crystal structure of a 6-phospho-beta-galactosidase from Bacillus licheniformis
Descriptor: 1,2-ETHANEDIOL, 6-phospho-beta-galactosidase
Authors:Liberato, M.V, Popov, A, Polikarpov, I.
Deposit date:2021-03-14
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Differences in Gluco and Galacto Substrate-Binding Interactions in a Dual 6P beta-Glucosidase/6P beta-Galactosidase Glycoside Hydrolase 1 Enzyme from Bacillus licheniformis .
J.Chem.Inf.Model., 61, 2021
5MGS
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BU of 5mgs by Molmil
Human receptor NKR-P1 in deglycosylated form, extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor subfamily B member 1
Authors:Skalova, T, Blaha, J, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J.
Deposit date:2016-11-22
Release date:2018-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
7MGU
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BU of 7mgu by Molmil
Improved ligand discovery using micro-beam data collection at the edge of protein crystals
Descriptor: 1,2-ETHANEDIOL, ARGININE, Endo-1,4-beta-xylanase, ...
Authors:Soares, A.S, Jakoncic, J.
Deposit date:2021-04-13
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improved ligand discovery using micro-beam data collection at the edge of protein crystals
To Be Published
2Z2Y
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BU of 2z2y by Molmil
Crystal structure of autoprocessed form of Tk-subtilisin
Descriptor: CALCIUM ION, Tk-subtilisin, ZINC ION
Authors:Tanaka, S, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
Deposit date:2007-05-29
Release date:2007-12-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Four new crystal structures of Tk-subtilisin in unautoprocessed, autoprocessed and mature forms: insight into structural changes during maturation
J.Mol.Biol., 372, 2007
8E08
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BU of 8e08 by Molmil
Crystal structure of HPSE P6 in complex with tetraose pentosan inhibitor
Descriptor: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, Heparanase 50 kDa subunit, ...
Authors:Whitefield, C, Jackson, C.J.
Deposit date:2022-08-08
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
6V7E
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BU of 6v7e by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 12
Descriptor: 3-[(5~{S},7~{S},8~{S})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
Authors:Palte, R.L.
Deposit date:2019-12-08
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
6C8W
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BU of 6c8w by Molmil
Crystal structure of Aspartate Semialdehyde Dehydrogenase with NADP from Blastomyces dermatitidis
Descriptor: Aspartate-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Dahal, G.P, Viola, R.E.
Deposit date:2018-01-25
Release date:2019-01-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into inhibitor binding to a fungal ortholog of aspartate semialdehyde dehydrogenase.
Biochem.Biophys.Res.Commun., 503, 2018
5MHF
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BU of 5mhf by Molmil
Murine endoplasmic reticulum alpha-glucosidase I with N-9'-methoxynonyl-1-deoxynojirimycin.
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mannosyl-oligosaccharide glucosidase, ...
Authors:Hill, J.C, Caputo, A.T, Roversi, P, Zitzmann, N.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting Endoplasmic Reticulum alpha-Glucosidase I with a Single-Dose Iminosugar Treatment Protects against Lethal Influenza and Dengue Virus Infections.
J.Med.Chem., 2020

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