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7WO1
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BU of 7wo1 by Molmil
Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific protein-ligand interactions
Descriptor: 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide
Authors:Wang, Y, Ye, S.
Deposit date:2022-01-20
Release date:2022-04-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
7WO3
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BU of 7wo3 by Molmil
SARS-CoV-2 3CLpro
Descriptor: (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide, 3C-like proteinase
Authors:Wang, Y, Ye, S.
Deposit date:2022-01-20
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
1LHZ
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BU of 1lhz by Molmil
Structure of a Human Bence-Jones Dimer Crystallized in U.S. Space Shuttle Mission STS-95: 293K
Descriptor: IMMUNOGLOBULIN LAMBDA LIGHT CHAIN
Authors:Terzyan, S.S, DeWitt, C.R, Ramsland, P.A, Bourne, P.C, Edmundson, A.B.
Deposit date:2002-04-17
Release date:2003-07-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparison of the three-dimensional structures of a human Bence-Jones dimer crystallized on Earth and aboard US Space Shuttle Mission STS-95
J.MOL.RECOG., 16, 2003
7WO2
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BU of 7wo2 by Molmil
SARS-CoV-2 3CLPro Peptidomimetic Inhibitor TPM5
Descriptor: 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
Authors:Wang, Y, Ye, S.
Deposit date:2022-01-20
Release date:2022-12-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
1B02
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BU of 1b02 by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, PROTEIN (THYMIDYLATE SYNTHASE)
Authors:Fox, K.M, Maley, F, Garibian, A, Changchien, L, Vanroey, P.
Deposit date:1998-11-16
Release date:1999-03-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of thymidylate synthase A from Bacillus subtilis.
Protein Sci., 8, 1999
2HXA
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BU of 2hxa by Molmil
Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH3.5
Descriptor: Azurin, COPPER (I) ION
Authors:Banfield, M.J.
Deposit date:2006-08-03
Release date:2007-01-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins.
J.Am.Chem.Soc., 129, 2007
2HX9
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BU of 2hx9 by Molmil
Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH4
Descriptor: Azurin, COPPER (I) ION
Authors:Banfield, M.J.
Deposit date:2006-08-03
Release date:2007-01-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins.
J.Am.Chem.Soc., 129, 2007
2HX7
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BU of 2hx7 by Molmil
Crystal structure of Cu(II) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM"
Descriptor: Azurin, COPPER (II) ION
Authors:Banfield, M.J.
Deposit date:2006-08-03
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins.
J.Am.Chem.Soc., 129, 2007
2HX8
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BU of 2hx8 by Molmil
Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH5
Descriptor: Azurin, COPPER (I) ION
Authors:Banfield, M.J.
Deposit date:2006-08-03
Release date:2007-01-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins.
J.Am.Chem.Soc., 129, 2007
1KTW
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BU of 1ktw by Molmil
IOTA-CARRAGEENASE COMPLEXED TO IOTA-CARRAGEENAN FRAGMENTS
Descriptor: 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Michel, G, Kahn, R, Dideberg, O.
Deposit date:2002-01-18
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structural Bases of the Processive Degradation of iota-Carrageenan, a Main Cell Wall Polysaccharide of Red Algae.
J.Mol.Biol., 334, 2003
2R3N
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BU of 2r3n by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3G
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BU of 2r3g by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
7Z3S
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BU of 7z3s by Molmil
CRYSTAL STRUCTURE of PheF from Geobacillus stearothermophilus
Descriptor: Acetaldehyde dehydrogenase, PHOSPHATE ION
Authors:Driller, R, Haack, M, Brueck, T, Loll, B.
Deposit date:2022-03-02
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
To Be Published
2R3J
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BU of 2r3j by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3K
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BU of 2r3k by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3P
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BU of 2r3p by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3H
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BU of 2r3h by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3L
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BU of 2r3l by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3O
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BU of 2r3o by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3M
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BU of 2r3m by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3F
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BU of 2r3f by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3I
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BU of 2r3i by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
1AQK
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BU of 1aqk by Molmil
THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID
Descriptor: FAB B7-15A2
Authors:Faber, C, Fan, Z, Edmundson, A.B.
Deposit date:1997-07-30
Release date:1998-02-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Three-dimensional structure of a human Fab with high affinity for tetanus toxoid.
Immunotechnology, 3, 1998
1AIQ
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BU of 1aiq by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Strop, P, Montfort, W.R.
Deposit date:1997-04-23
Release date:1997-11-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997
2QIM
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BU of 2qim by Molmil
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Cytokinin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, CALCIUM ION, GLYCEROL, ...
Authors:Fernandes, H.C, Pasternak, O, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M.
Deposit date:2007-07-05
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Lupinus luteus pathogenesis-related protein as a reservoir for cytokinin.
J.Mol.Biol., 378, 2008

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数据于2024-10-16公开中

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