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6NJ6
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BU of 6nj6 by Molmil
Thermostable variant of human carbonic anhydrase with tetrazine 2.0 at site 186 reacted with sTCO in crystallo
Descriptor: Carbonic anhydrase 2, GLYCEROL, METHANOL, ...
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
6NJ5
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BU of 6nj5 by Molmil
Thermostable variant of human carbonic anhydrase II with disordered tetrazine 2.0 at site 233
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
6NJ4
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BU of 6nj4 by Molmil
Thermostable variant of human carbonic anhydrase with disordered tetrazine 2.0 reacted with strained trans-cyclooctene at site 233
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
5K8C
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BU of 5k8c by Molmil
X-ray structure of KdnB, 3-deoxy-alpha-D-manno-octulosonate 8-oxidase, from Shewanella oneidensis
Descriptor: 1,2-ETHANEDIOL, 3-deoxy-alpha-D-manno-octulosonate 8-oxidase, CHLORIDE ION, ...
Authors:Holden, H.M, Thoden, J.B, Zachman-Brockmeyer, T.R.
Deposit date:2016-05-28
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of KdnB and KdnA from Shewanella oneidensis: Key Enzymes in the Formation of 8-Amino-3,8-Dideoxy-d-Manno-Octulosonic Acid.
Biochemistry, 55, 2016
6NJ2
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BU of 6nj2 by Molmil
thermostable carbonic anhydrase II variant with tetrazine 2.0 at site 186
Descriptor: Carbonic anhydrase 2, GLYCEROL, SULFATE ION, ...
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
6NJ3
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BU of 6nj3 by Molmil
Thermostable variant of human carbonic anhydrase with ordered tetrazine 2.0 at site 233
Descriptor: ACETATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
2CUG
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BU of 2cug by Molmil
Solution structure of the J domain of the pseudo DnaJ protein, mouse hypothetical mKIAA0962
Descriptor: mKIAA0962 protein
Authors:Ohnishi, S, Kigawa, T, Sato, M, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-26
Release date:2005-11-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the J domain of the pseudo DnaJ protein, mouse hypothetical mKIAA0962
To be Published
1FSJ
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BU of 1fsj by Molmil
CRYSTAL STRUCTURE OF THE E9 DNASE DOMAIN
Descriptor: COLICIN E9, PHOSPHATE ION, ZINC ION
Authors:Kuhlmann, U.C, Pommer, A.J, Moore, G.R, James, R, Kleanthous, C, Hemmings, A.M.
Deposit date:2000-09-11
Release date:2003-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the E9 DNase domain in comparison with the inhibited structure of the E9 DNase/Im9 complex
To be Published
2YS8
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BU of 2ys8 by Molmil
Solution structure of the DnaJ-like domain from human ras-associated protein Rap1
Descriptor: Rab-related GTP-binding protein RabJ
Authors:Ohnishi, S, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2007-10-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the DnaJ-like domain from human ras-associated protein Rap1
To be Published
2EJ7
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BU of 2ej7 by Molmil
Solution structure of the DnaJ domain of the human protein HCG3, a hypothetical protein tmp_locus_21
Descriptor: HCG3 gene
Authors:Ohinishi, S, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-15
Release date:2007-09-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the DnaJ domain of the human protein HCG3, a hypothetical protein tmp_locus_21
To be Published
6XV9
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BU of 6xv9 by Molmil
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6XVA
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BU of 6xva by Molmil
Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
8AAC
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BU of 8aac by Molmil
African cichlid nackednavirus capsid at pH 7.5
Descriptor: C protein
Authors:Pfister, S, Rabl, J, Boehringer, D, Meier, B.H.
Deposit date:2022-07-01
Release date:2023-04-05
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural conservation of HBV-like capsid proteins over hundreds of millions of years despite the shift from non-enveloped to enveloped life-style.
Nat Commun, 14, 2023
6XVB
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BU of 6xvb by Molmil
Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788
Descriptor: Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-21
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
7AJR
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BU of 7ajr by Molmil
Virtual screening approach leading to the identification of a novel and tractable series of Pseudomonas aeruginosa elastase inhibitors
Descriptor: 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid, Keratinase KP2, SULFATE ION, ...
Authors:Leiris, S, Davies, D.T, Sprinsky, N, Castandet, J, Behria, L, Bodnarchuk, M.S, Sutton, J.M, Mullins, T.M.G, Jones, M.W, Forrest, A.K, Pallin, T.D, Karunakar, P, Martha, S.K, Parusharamulu, B, Ramula, R, Kotha, V, Pottabathini, N, Pothukanuri, S, Lemonnier, M, Everett, M.
Deposit date:2020-09-29
Release date:2021-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Virtual Screening Approach to Identifying a Novel and Tractable Series of Pseudomonas aeruginosa Elastase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
1FR2
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BU of 1fr2 by Molmil
CRYSTAL STRUCTURE OF THE E9 DNASE DOMAIN WITH A MUTANT IMMUNITY PROTEIN IM9(E41A)
Descriptor: COLICIN E9, COLICIN E9 IMMUNITY PROTEIN, PHOSPHATE ION, ...
Authors:Kuhlmann, U.C, Pommer, A.J, Moore, G.M, James, R, Kleanthous, C, Hemmings, A.M.
Deposit date:2000-09-07
Release date:2003-06-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CRYSTAL STRUCTURE OF THE E9 DNASE DOMAIN WITH A MUTANT IMMUNITY PROTEIN IM9(E41A)
To be Published
6XVK
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BU of 6xvk by Molmil
Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-22
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
8C0O
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BU of 8c0o by Molmil
African cichlid nackednavirus capsid at pH 5.5
Descriptor: C protein
Authors:Pfister, S, Rabl, J, Boehringer, D, Meier, B.H.
Deposit date:2022-12-19
Release date:2023-04-05
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural conservation of HBV-like capsid proteins over hundreds of millions of years despite the shift from non-enveloped to enveloped life-style.
Nat Commun, 14, 2023
6XVJ
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BU of 6xvj by Molmil
Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Authors:Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J.
Deposit date:2020-01-22
Release date:2020-05-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
6X2D
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BU of 6x2d by Molmil
Crystal Structure of DNase I Domain of Ribonuclease E from Vibrio cholerae
Descriptor: IODIDE ION, Ribonuclease E
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-20
Release date:2020-06-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of DNase I Domain of Ribonuclease E from Vibrio cholerae.
To Be Published
1GXH
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BU of 1gxh by Molmil
Colicin E8 DNAse immunity protein: Im8
Descriptor: COLICIN E8 IMMUNITY PROTEIN
Authors:Leduff, C.S, Videler, H, Boetzel, R, Czisch, M, James, R, Kleanthous, C, Moore, G.R.
Deposit date:2002-04-05
Release date:2002-05-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Non-Cognate Protein-Protein Interaction: The NMR Structure of the Colicin E8 Inhibitor Protein Im8 and its Interaction with the DNase Domain of Colicin E9
To be Published
4M4N
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BU of 4m4n by Molmil
Structural evaluation the Y358H mutant of the aspergillus fumigatus kdnase (sialidase)
Descriptor: Extracellular sialidase/neuraminidase, putative, GLYCEROL, ...
Authors:Telford, J.C, Taylor, G.L.
Deposit date:2013-08-07
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active site mutants of a fungal KDNase
To be Published
6ISB
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BU of 6isb by Molmil
crystal structure of human CD226
Descriptor: CD226 antigen
Authors:Wang, H, Qi, J, Zhang, S, Li, Y, Tan, S, Gao, G.F.
Deposit date:2018-11-16
Release date:2018-12-26
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
8A06
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BU of 8a06 by Molmil
Flavobacterium infecting lipid-containing phage FLiP penton protein
Descriptor: Penton protein P12
Authors:Rissanen, I, Huiskonen, J.T.
Deposit date:2022-05-26
Release date:2022-12-14
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution.
Nat Commun, 13, 2022
2XH3
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BU of 2xh3 by Molmil
extracellular nuclease
Descriptor: DI(HYDROXYETHYL)ETHER, SPD1 NUCLEASE
Authors:Korczynska, J.E, Turkenburg, J.P, Taylor, E.J.
Deposit date:2010-06-08
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The Structural Characterization of a Prophage-Encoded Extracellular DNase from Streptococcus Pyogenes.
Nucleic Acids Res., 40, 2012

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