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PDB: 387 results

5KR2
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BU of 5kr2 by Molmil
Protease PR5-SQV
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV
Authors:Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
Deposit date:2016-07-06
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
3E78
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BU of 3e78 by Molmil
Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37
Descriptor: CALCIUM ION, CHLORIDE ION, High affinity transport system protein p37, ...
Authors:Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R.
Deposit date:2008-08-18
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Acta Crystallogr.,Sect.D, 64, 2008
8DJ9
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BU of 8dj9 by Molmil
Carbonic Anhydrase II in complex with Ibuprofen
Descriptor: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, ...
Authors:Combs, J.C, McKenna, R, Andring, J.T.
Deposit date:2022-06-30
Release date:2022-11-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Ibuprofen: a weak inhibitor of carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 78, 2022
3E79
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Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R.
Deposit date:2008-08-18
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Acta Crystallogr.,Sect.D, 64, 2008
3NG9
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BU of 3ng9 by Molmil
Structure to Function Correlations for Adeno-associated Virus Serotype 1
Descriptor: 6-AMINOPYRIMIDIN-2(1H)-ONE, ADENINE, Capsid protein
Authors:Govindasamy, L, Miller, E.B, Gurda, B, McKenna, R, Zolotukhin, S, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2010-06-11
Release date:2011-12-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure to Function Correlations for Adeno-Associated Virus serotype 1
To be Published
5KQZ
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BU of 5kqz by Molmil
Protease E35D-CaP2
Descriptor: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, Protease
Authors:Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
Deposit date:2016-07-06
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
2HFW
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BU of 2hfw by Molmil
Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III
Descriptor: Carbonic anhydrase 3, ZINC ION
Authors:Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N.
Deposit date:2006-06-26
Release date:2007-05-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
4RSO
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BU of 4rso by Molmil
The structure of the neurotropic AAVrh.8 viral vector
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, Capsid protein VP1, ...
Authors:Halder, S, Van Vliet, K, Smith, J.K, McKenna, R, Wilson, J.M, Agbandje-McKenna, M.
Deposit date:2014-11-10
Release date:2016-04-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of neurotropic adeno-associated virus AAVrh.8.
J.Struct.Biol., 192, 2015
3DCW
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BU of 3dcw by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DCC
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BU of 3dcc by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-03
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DAZ
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BU of 3daz by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-05-30
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DBU
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BU of 3dbu by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-02
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
7SUY
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BU of 7suy by Molmil
Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV1
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BU of 7sv1 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV8
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BU of 7sv8 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SX5
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BU of 7sx5 by Molmil
Crystal structure of ligase I with nick duplexes containing mismatch A:C
Descriptor: ADENOSINE MONOPHOSPHATE, DNA chain 1, DNA chain 2, ...
Authors:Tang, Q, Gulkis, M, McKenna, R, Caglayan, M.
Deposit date:2021-11-22
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair.
Nat Commun, 13, 2022
7SUM
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BU of 7sum by Molmil
Crystal structure of human ligase I with nick duplexes containing cognate A:T
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase 1, DNA(5'-*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*A-3'), ...
Authors:Tang, Q, Gulkis, M, McKenna, R, Caglayan, M.
Deposit date:2021-11-17
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair.
Nat Commun, 13, 2022
7SXE
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BU of 7sxe by Molmil
Crystal structure of ligase I with nick duplexes containing cognate G:T
Descriptor: ADENOSINE MONOPHOSPHATE, DNA chain 1, DNA chain 2, ...
Authors:Tang, Q, Gulkis, M, McKenna, R, Caglayan, M.
Deposit date:2021-11-22
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair.
Nat Commun, 13, 2022
5DSK
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BU of 5dsk by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 3 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSQ
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BU of 5dsq by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSM
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BU of 5dsm by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 25 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSR
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BU of 5dsr by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 10 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8TU1
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BU of 8tu1 by Molmil
The Capsid of Porcine Bocavirus 1
Descriptor: VP2
Authors:Velez, M, Mietzsch, M, McKenna, R.
Deposit date:2023-08-15
Release date:2023-08-30
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.31 Å)
Cite:Structural Characterization of Canine Minute Virus, Rat and Porcine Bocavirus.
Viruses, 15, 2023
8TU2
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BU of 8tu2 by Molmil
The Capsid of Rat Bocavirus
Descriptor: VP2
Authors:Velez, M, Mietzsch, M, McKenna, R.
Deposit date:2023-08-15
Release date:2023-08-30
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structural Characterization of Canine Minute Virus, Rat and Porcine Bocavirus.
Viruses, 15, 2023
8TU0
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BU of 8tu0 by Molmil
The Capsid of Canine Minute Virus
Descriptor: VP2
Authors:Velez, M, Mietzsch, M, McKenna, R.
Deposit date:2023-08-15
Release date:2023-08-30
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Structural Characterization of Canine Minute Virus, Rat and Porcine Bocavirus.
Viruses, 15, 2023

221051

數據於2024-06-12公開中

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