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PDB: 144 件

4UG3
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B. subtilis GpsB N-terminal Domain
分子名称: CELL CYCLE PROTEIN GPSB
著者Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Moller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S.
登録日2015-03-21
公開日2015-11-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Bacterial Cell Division Determinant Gpsb and its Interaction with Penicillin Binding Proteins.
Mol.Microbiol., 99, 2016
6UGV
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Crystal structure of the Fab fragment of anti-TNFa antibody infliximab (Remicade) in a I-centered orthorhombic crystal form, Lot C
分子名称: 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain, ...
著者Lerch, T.F, Sharpe, P, Mayclin, S.J, Edwards, T.E, Polleck, S, Rouse, J.C, Conlan, H.D.
登録日2019-09-26
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of PF-06438179/GP1111, an Infliximab Biosimilar.
BioDrugs, 34, 2020
6UGS
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Crystal structure of the Fab fragment of PF06438179/GP1111 an infliximab biosimilar in a C-centered orthorhombic crystal form, Lot A
分子名称: Infliximab (Remicade) Fab Heavy Chain, Infliximab (Remicade) Fab Light Chain
著者Lerch, T.F, Sharpe, P, Mayclin, S.J, Edwards, T.E, Polleck, S, Rouse, J.C, Conlan, H.
登録日2019-09-26
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structures of PF-06438179/GP1111, an Infliximab Biosimilar.
BioDrugs, 34, 2020
7NAE
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Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM
分子名称: Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM
著者Estrada, A, Wright, D, Krucinska, J, Erlandsen, H.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
6W4Z
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Galectin-8N terminal domain in complex with Methyl 3-O-[3-O-benzyloxy]-malonyl-beta-D-galactopyranoside
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Galectin-8, ...
著者Patel, B, Kishor, C, Blanchard, H.
登録日2020-03-12
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Rational Design and Synthesis of Methyl-beta-d-galactomalonyl Phenyl Esters as Potent Galectin-8 N Antagonists.
J.Med.Chem., 63, 2020
6UGU
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Crystal structure of the Fab fragment of anti-TNFa antibody infliximab (Remicade) in a C-centered orthorhombic crystal form, Lot C
分子名称: PF06438179 Fab Heavy Chain, PF06438179 Fab Light Chain
著者Lerch, T.F, Sharpe, P, Mayclin, S.J, Edwards, T.E, Polleck, S, Rouse, J.C, Conlan, H.D.
登録日2019-09-26
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of PF-06438179/GP1111, an Infliximab Biosimilar.
BioDrugs, 34, 2020
7RGX
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside
著者Bum-Erdene, K, Kishor, C, Blanchard, H.
登録日2021-07-15
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RGY
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-15
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.337 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH0
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-trifluoromethyl-benzoyl)-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.487 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RGZ
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.485 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH1
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Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.444 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH3
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Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH4
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Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7PV2
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BU of 7pv2 by Molmil
GA1 bacteriophage portal protein
分子名称: Head-tail connector (Portal protein)
著者Javed, A, Villanueva, H, Orlova, E.V, Savva, R.
登録日2021-10-01
公開日2022-10-12
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM Structures of Two Bacteriophage Portal Proteins Provide Insights for Antimicrobial Phage Engineering.
Viruses, 13, 2021
7PV4
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PhiCPV4 bacteriophage Portal Protein
分子名称: Connector protein
著者Javed, A, Villanueva, H, Orlova, E.V, Savva, R.
登録日2021-10-01
公開日2022-10-12
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM Structures of Two Bacteriophage Portal Proteins Provide Insights for Antimicrobial Phage Engineering.
Viruses, 13, 2021
7R6G
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BU of 7r6g by Molmil
Crystal structure of DfrA5 dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH
分子名称: Dihydrofolate reductase type 5, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Estrada, A, Wright, D, Krucinska, J, Erlandsen, H.
登録日2021-06-22
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
7RDO
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BU of 7rdo by Molmil
Crystal structure of human galectin-3 CRD in complex with diselenodigalactoside
分子名称: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name), CHLORIDE ION, Galectin-3, ...
著者Kishor, C, Go, R.M, Blanchard, H.
登録日2021-07-10
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Investigation of the Molecular Details of the Interactions of Selenoglycosides and Human Galectin-3.
Int J Mol Sci, 23, 2022
7RDP
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Crystal structure of human galectin-3 CRD in complex with selenodigalactoside
分子名称: CHLORIDE ION, Galectin-3, beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside
著者Kishor, C, Go, R.M, Blanchard, H.
登録日2021-07-10
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Investigation of the Molecular Details of the Interactions of Selenoglycosides and Human Galectin-3.
Int J Mol Sci, 23, 2022
7QUB
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EV-A71-3Cpro in complex with inhibitor MG78
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION
著者El Kilani, H, Hilgenfeld, R.
登録日2022-01-17
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
7QL8
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SARS-COV2 Main Protease in complex with inhibitor MG78
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者El Kilani, H, Hilgenfeld, R.
登録日2021-12-19
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
6Q0Q
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BU of 6q0q by Molmil
Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-(1-{3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranosyl}-1,2,3-triazol-4-yl)-methyl-b-D-galactopyranoside
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kishor, C, Blanchard, H.
登録日2019-08-02
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98601174 Å)
主引用文献Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
6Q17
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Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
著者Kishor, C, Blanchard, H.
登録日2019-08-02
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
6WAB
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BU of 6wab by Molmil
Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative
分子名称: 2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol, GLYCEROL, Galectin-4
著者Go, R.M, Kishor, C, Blanchard, H.
登録日2020-03-25
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative
To Be Published
2YAD
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BU of 2yad by Molmil
BRICHOS domain of Surfactant protein C precursor protein
分子名称: SURFACTANT PROTEIN C BRICHOS DOMAIN
著者Askarieh, G, Siponen, M.I, Willander, H, Landreh, M, Westermark, P, Nordling, K, Keranen, H, Hermansson, E, Hamvas, A, Nogee, L.M, Bergman, T, Saenz, A, Casals, C, Aqvist, J, Jornvall, H, Presto, J, Johansson, J, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Nordlund, P, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, van den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Knight, S.D.
登録日2011-02-18
公開日2012-02-15
最終更新日2014-08-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High Resolution Structure of a Bricos Domain and its Implications for Anti-Amyloid Chaperone Activity on Lung Surgactant Protein C.
Proc.Natl.Acad.Sci.USA, 109, 2012
8C9O
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Crystal structure of SARS-CoV-2 Mpro-S144A mutant in complex with 13b-K
分子名称: 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Ibrahim, M, El Kilani, H, Hilgenfeld, R.
登録日2023-01-23
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of SARS-CoV-2 Mpro_S144A mutant in complex with 13b-K
To Be Published

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