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PDB: 527 results

8VHM
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BU of 8vhm by Molmil
Structure of DHODH in Complex with Fragment 2
Descriptor: ACETATE ION, CHLORIDE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Shaffer, P.L.
Deposit date:2024-01-02
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.
Acs Med.Chem.Lett., 15, 2024
9MSI
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BU of 9msi by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T18N
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
9BKN
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BU of 9bkn by Molmil
DHODH in complex with Ligand 16
Descriptor: (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:Shaffer, P.L.
Deposit date:2024-04-29
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
9BKO
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BU of 9bko by Molmil
DHODH in complex with Ligand 26
Descriptor: (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:Shaffer, P.L.
Deposit date:2024-04-29
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
9BJM
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Crystal Structure of Inhibitor 5c in Complex with Prefusion RSV F Glycoprotein
Descriptor: 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one, Prefusion RSV F (DS-CAV1),Envelope glycoprotein
Authors:Shaffer, P.L, Milligan, C, Abeywickrema, P.
Deposit date:2024-04-25
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Spiro-Azetidine Oxindoles as Long-Acting Injectables for Pre-Exposure Prophylaxis against Respiratory Syncytial Virus Infections.
J.Med.Chem., 2024
9AME
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BU of 9ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 S42G
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
8VW5
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BU of 8vw5 by Molmil
Crystal structure of Cbl-b TKB bound to compound 2
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ...
Authors:Yu, C, Murray, J, Hsu, P.L.
Deposit date:2024-01-31
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
8VW4
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BU of 8vw4 by Molmil
Crystal structure of Cbl-b TKB bound to compound 26
Descriptor: (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ...
Authors:Yu, C, Murray, J, Hsu, P.L.
Deposit date:2024-01-31
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
6XAC
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BU of 6xac by Molmil
Galactose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: Antifreeze protein, CALCIUM ION, beta-D-galactopyranose
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-04
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X95
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BU of 6x95 by Molmil
2-deoxy-glucose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-alpha-D-arabino-hexopyranose, Antifreeze protein, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-02
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X7X
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BU of 6x7x by Molmil
mannose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein, CALCIUM ION, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-05-31
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X7T
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BU of 6x7t by Molmil
Allose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: Antifreeze protein, CALCIUM ION, alpha-D-allofuranose, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-05-30
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6XAQ
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BU of 6xaq by Molmil
Alpha-methyl-glucose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: Antifreeze protein, CALCIUM ION, methyl alpha-D-glucopyranoside
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-04
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X9M
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BU of 6x9m by Molmil
3-O-methyl-glucose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, 3-O-methyl-beta-D-glucopyranose, Antifreeze protein, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-03
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X7J
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BU of 6x7j by Molmil
fucose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein, CALCIUM ION, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-05-30
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X7Z
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BU of 6x7z by Molmil
Inositol-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1,2-ETHANEDIOL, Antifreeze protein, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X7Y
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BU of 6x7y by Molmil
N-acetyl-glucosamine-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-05-31
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X9P
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BU of 6x9p by Molmil
2-deoxyribose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-beta-D-ribopyranose, Antifreeze protein, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-03
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X8Y
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BU of 6x8y by Molmil
Ribose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein, CALCIUM ION, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-02
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X8A
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BU of 6x8a by Molmil
Sucrose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: Antifreeze protein, CALCIUM ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6X8D
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BU of 6x8d by Molmil
Arabinose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein, CALCIUM ION, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
6XA5
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BU of 6xa5 by Molmil
Trehalose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain
Descriptor: Antifreeze protein, CALCIUM ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Guo, S, Davies, P.L.
Deposit date:2020-06-03
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
1A7A
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BU of 1a7a by Molmil
STRUCTURE OF HUMAN PLACENTAL S-ADENOSYLHOMOCYSTEINE HYDROLASE: DETERMINATION OF A 30 SELENIUM ATOM SUBSTRUCTURE FROM DATA AT A SINGLE WAVELENGTH
Descriptor: (1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-ADENOSYLHOMOCYSTEINE HYDROLASE
Authors:Turner, M.A, Yuan, C.-S, Borchardt, R.T, Hershfield, M.S, Smith, G.D, Howell, P.L.
Deposit date:1998-03-10
Release date:1999-04-20
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure determination of selenomethionyl S-adenosylhomocysteine hydrolase using data at a single wavelength.
Nat.Struct.Biol., 5, 1998
6X5V
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BU of 6x5v by Molmil
Peptide-bound structure of Marinomonas primoryensis peptide-binding domain
Descriptor: Antifreeze protein, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-05-27
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis for a bacterial adhesins peptide-binding module
To Be Published
6X5W
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BU of 6x5w by Molmil
Peptide-bound structure of Marinomonas primoryensis peptide-binding domain
Descriptor: Antifreeze protein, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Guo, S, Davies, P.L.
Deposit date:2020-05-27
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis for a bacterial adhesins peptide-binding module
To Be Published

222624

数据于2024-07-17公开中

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