4YYY
 
 | | X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with uridine | | Descriptor: | CITRIC ACID, TRIETHYLENE GLYCOL, Thymidine phosphorylase, ... | | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2015-03-24 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
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6H52
 | | Crystal structure of human KDM5B in complex with compound 34g | | Descriptor: | 1,2-ETHANEDIOL, 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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6FUH
 | | Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine | | Descriptor: | (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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3AYU
 | | Crystal structure of MMP-2 active site mutant in complex with APP-drived decapeptide inhibitor | | Descriptor: | 72 kDa type IV collagenase, Amyloid beta A4 protein, CALCIUM ION, ... | | Authors: | Hashimoto, H, Takeuchi, T, Komatsu, K, Miyazaki, K, Sato, M, Higashi, S. | | Deposit date: | 2011-05-17 | | Release date: | 2011-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for matrix metalloproteinase-2 (MMP-2)-selective inhibitory action of {beta}-amyloid precursor protein-derived inhibitor
J.Biol.Chem., 2011
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8BSG
 | | COMPLEX OF LEPORINE SERUM ALBUMIN WITH DICLOFENAC | | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... | | Authors: | Bujacz, A, Talaj, J, Zielinski, K. | | Deposit date: | 2022-11-25 | | Release date: | 2023-02-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Int J Mol Sci, 24, 2023
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4IS6
 | | Crystal structure of HLA-DR4 bound to GP100 peptide | | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-4 beta chain, ... | | Authors: | Li, Y. | | Deposit date: | 2013-01-16 | | Release date: | 2013-10-23 | | Last modified: | 2013-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Altered MHC Class II-Restricted Peptide Ligands with Heterogeneous Immunogenicity.
J.Immunol., 191, 2013
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6JWF
 | | Holo form of Pyranose Dehydrogenase PQQ domain from Coprinopsis cinerea | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Takeda, K, Ishida, T, Yoshida, M, Samejima, M, Ohno, H, Igarashi, K, Nakamura, N. | | Deposit date: | 2019-04-20 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of the Catalytic and CytochromebDomains in a Eukaryotic Pyrroloquinoline Quinone-Dependent Dehydrogenase.
Appl.Environ.Microbiol., 85, 2019
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1HAC
 | | CROSSLINKED HAEMOGLOBIN | | Descriptor: | 2,6-DICARBOXYNAPHTHALENE, CARBON MONOXIDE, HEMOGLOBIN A, ... | | Authors: | Schumacher, M.A, Dixon, M.M, Kluger, R, Jones, R.T, Brennan, R.G. | | Deposit date: | 1996-03-13 | | Release date: | 1997-11-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Allosteric intermediates indicate R2 is the liganded hemoglobin end state.
Proc.Natl.Acad.Sci.USA, 94, 1997
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7UK4
 | | KS-AT di-domain of mycobacterial Pks13 with endogenous KS ligand bound | | Descriptor: | Polyketide synthase PKS13, UNKNOWN LIGAND | | Authors: | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | | Deposit date: | 2022-03-31 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (1.94 Å) | | Cite: | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13.
Nat.Struct.Mol.Biol., 30, 2023
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5HWB
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5CUH
 | | Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4 | | Descriptor: | (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Tepshi, L, Vera, L, Nuti, E, Rosalia, L, Rossello, A, Stura, E.A. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models.
Eur.J.Med.Chem., 111, 2016
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3ASW
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3AT0
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1GWE
 | | Atomic resolution structure of Micrococcus Lysodeikticus catalase | | Descriptor: | Catalase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Murshudov, G.N, Grebenko, A.I, Brannigan, J.A, Antson, A.A, Barynin, V.V, Dodson, G.G, Dauter, Z, Wilson, K.S, Melik-Adamyan, W.R. | | Deposit date: | 2002-03-15 | | Release date: | 2002-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | The Structures of Micrococcus Lysodeikticus Catalase, its Ferryl Intermediate (Compound II) and Nadph Complex.
Acta Crystallogr.,Sect.D, 58, 2002
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1GWH
 | | Atomic resolution structure of Micrococcus Lysodeikticus catalase complexed with NADPH | | Descriptor: | ACETATE ION, Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Murshudov, G.N, Grebenko, A.I, Brannigan, J.A, Antson, A.A, Barynin, V.V, Dodson, G.G, Dauter, Z, Wilson, K.S, Melik-Adamyan, W.R. | | Deposit date: | 2002-03-15 | | Release date: | 2002-03-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The Structures of Micrococcus Lysodeikticus Catalase, its Ferryl Intermediate (Compound II) and Nadph Complex.
Acta Crystallogr.,Sect.D, 58, 2002
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4O1S
 | | Crystal structure of TvoVMA intein | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, ... | | Authors: | Aranko, A.S, Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H. | | Deposit date: | 2013-12-16 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7008 Å) | | Cite: | Structure-based engineering and comparison of novel split inteins for protein ligation.
Mol Biosyst, 10, 2014
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1CUH
 | | CUTINASE, R196E MUTANT | | Descriptor: | CUTINASE | | Authors: | Longhi, S, Cambillau, C. | | Deposit date: | 1995-11-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
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6LOB
 | | Crystal structure of RORgammat with ligand C46D bound | | Descriptor: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Feng, Y, Shijie, C. | | Deposit date: | 2020-01-04 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006661 Å) | | Cite: | Crystal structure of RORgammat with ligand C46D bound
To Be Published
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7A4Y
 | | Crystal structure of the P5P6 coiled-coil in complex with nanobody Nb34. | | Descriptor: | 1,2-ETHANEDIOL, Coiled-coil P5 peptide, Coiled-coil P6 peptide, ... | | Authors: | Hadzi, S. | | Deposit date: | 2020-08-20 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.157 Å) | | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7A4T
 | | Crystal structure of the GCN coiled-coil in complex with nanobody Nb39 | | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, GCN4 isoform 1, ... | | Authors: | Hadzi, S. | | Deposit date: | 2020-08-20 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.124 Å) | | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6LOA
 | | Crystal structure of RORgammat with ligand C46D bound | | Descriptor: | 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Feng, Y, Shijie, C. | | Deposit date: | 2020-01-04 | | Release date: | 2021-01-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.50003314 Å) | | Cite: | Crystal structure of RORgammat with ligand C46D bound
To Be Published
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7A50
 | | Crystal structure of the APH coiled-coil in complex with nanobody Nb26 | | Descriptor: | 1,2-ETHANEDIOL, Coiled-coil APH, Nanobody Nb26 | | Authors: | Hadzi, S. | | Deposit date: | 2020-08-20 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7A4D
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7A48
 | | Crystal structure of the APH coiled-coil in complex with Nb49 | | Descriptor: | APH colied-coil, Nanobody 49 | | Authors: | Hadzi, S. | | Deposit date: | 2020-08-19 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.547 Å) | | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6A1E
 | | Crystal structure of a synthase 1 from Santalum album in complex with ligand fps | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONATE ION, GLYCEROL, ... | | Authors: | Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-06-07 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of a synthase 1 from Santalum album in complex with ligand
To Be Published
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