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8F3B
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HIV-1 gp41 coiled-coil pocket IQN22
分子名称: IQN22
著者Bruun, T.U.J, Tang, S, Fernandez, D, Kim, P.S.
登録日2022-11-09
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided stabilization improves the ability of the HIV-1 gp41 hydrophobic pocket to elicit neutralizing antibodies.
J.Biol.Chem., 299, 2023
6NO1
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ADP bound to K46bE mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Succinate--CoA ligase [ADP-forming] subunit beta
著者Huang, J, Fraser, M.E.
登録日2019-01-15
公開日2019-07-17
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6NO4
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ADP bound to L227bF mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Succinate--CoA ligase [ADP-forming] subunit beta
著者Huang, J, Fraser, M.E.
登録日2019-01-15
公開日2019-07-17
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6NO5
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ADP bound to K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, AMMONIUM ION, MAGNESIUM ION, ...
著者Huang, J, Fraser, M.E.
登録日2019-01-15
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6NO2
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ADP bound to K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Huang, J, Fraser, M.E.
登録日2019-01-15
公開日2019-07-17
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.159 Å)
主引用文献ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6O9U
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KirBac3.1 at a resolution of 2 Angstroms
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3,3',3''-phosphoryltripropanoic acid, BARIUM ION, ...
著者Gulbis, J.M, Clarke, O.B.
登録日2019-03-15
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
6O5D
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PYOCHELIN
分子名称: GLYCEROL, Neutrophil gelatinase-associated lipocalin, SULFATE ION
著者Rupert, P.B, Strong, R.K, Clifton, M.C, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-03-01
公開日2019-09-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.
J Struct Biol X, 2, 2019
6O9T
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KirBac3.1 mutant at a resolution of 4.1 Angstroms
分子名称: 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION
著者Gulbis, J.M, Black, K.A, Miller, D.M.
登録日2019-03-15
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
6O9V
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KirBac3.1 mutant at a resolution of 3.1 Angstroms
分子名称: 1,1-Methanediyl Bismethanethiosulfonate, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Inward rectifier potassium channel Kirbac3.1, ...
著者Gulbis, J.M, Black, K.A, Miller, D.M.
登録日2019-03-15
公開日2020-05-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.094 Å)
主引用文献A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
6OM8
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Caenorhabditis Elegans UDP-Glucose Dehydrogenase in complex with UDP-Xylose
分子名称: UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
著者Beattie, N.R, McDonald, W.E, Hicks Sirmans, T.N, Wood, Z.A.
登録日2019-04-18
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Conservation of Atypical Allostery inC. elegansUDP-Glucose Dehydrogenase.
Acs Omega, 4, 2019
6PEU
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Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with peptide
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLY-ARG-LEU-GLY-PHE-TYR-GLY-TYR-ASP-LEU-GLN-ASP, MAGNESIUM ION, ...
著者Dong, S.-H, Nair, S.K.
登録日2019-06-20
公開日2019-11-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
6PKE
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BU of 6pke by Molmil
Myocilin OLF mutant N428E/D478S
分子名称: Myocilin
著者Lieberman, R.L, Hill, S.E.
登録日2019-06-29
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices.
Acta Crystallogr D Struct Biol, 75, 2019
6NO0
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BU of 6no0 by Molmil
ADP bound to ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Huang, J, Fraser, M.E.
登録日2019-01-15
公開日2019-07-17
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6O67
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BU of 6o67 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone
分子名称: Mitoglitazone, Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Kojetin, D.J.
登録日2019-03-05
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O68
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Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone
分子名称: Ciglitazone, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2019-03-05
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O6C
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BU of 6o6c by Molmil
RNA polymerase II elongation complex arrested at a CPD lesion
分子名称: DNA (27-MER), DNA (5'-D(P*GP*GP*AP*GP*AP*AP*GP*GP*AP*GP*CP*AP*GP*AP*GP*C)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Lahiri, I, Leshziner, A.E.
登録日2019-03-05
公開日2019-06-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献3.1 angstrom structure of yeast RNA polymerase II elongation complex stalled at a cyclobutane pyrimidine dimer lesion solved using streptavidin affinity grids.
J.Struct.Biol., 207, 2019
6PKF
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BU of 6pkf by Molmil
Myocilin OLF mutant N428E/D478K
分子名称: GLYCEROL, Myocilin
著者Lieberman, R.L, Hill, S.E.
登録日2019-06-29
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.484 Å)
主引用文献Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices.
Acta Crystallogr D Struct Biol, 75, 2019
8BSU
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BU of 8bsu by Molmil
Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate and the positive allosteric modulator BPAM344 at 2.9A resolution
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ...
著者Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
登録日2022-11-26
公開日2023-12-13
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Small-molecule positive allosteric modulation of homomeric kainate receptors GluK1-3: development of screening assays and insight into GluK3 structure.
Febs J., 291, 2024
8BST
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Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate at 2.7A resolution
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, ACETATE ION, CHLORIDE ION, ...
著者Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
登録日2022-11-26
公開日2023-12-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-molecule positive allosteric modulation of homomeric kainate receptors GluK1-3: development of screening assays and insight into GluK3 structure.
Febs J., 291, 2024
6PE3
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BU of 6pe3 by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized protein MJ1094
著者Dong, S.-H, Nair, S.K.
登録日2019-06-19
公開日2020-01-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
6PKD
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BU of 6pkd by Molmil
Myocilin OLF mutant N428D/D478H
分子名称: Myocilin, SODIUM ION
著者Lieberman, R.L, Hill, S.E.
登録日2019-06-29
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices.
Acta Crystallogr D Struct Biol, 75, 2019
6PRC
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BU of 6prc by Molmil
PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS (DG-420314 (TRIAZINE) COMPLEX)
分子名称: 15-cis-1,2-dihydroneurosporene, 2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE, BACTERIOCHLOROPHYLL B, ...
著者Lancaster, C.R.D, Michel, H.
登録日1997-07-31
公開日1999-04-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Refined crystal structures of reaction centres from Rhodopseudomonas viridis in complexes with the herbicide atrazine and two chiral atrazine derivatives also lead to a new model of the bound carotenoid.
J.Mol.Biol., 286, 1999
8OJM
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BU of 8ojm by Molmil
Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-D-galacto-heptonamide
分子名称: (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ...
著者Tsagkarakou, A.S, Leonidas, D.D.
登録日2023-03-24
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
8OJI
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BU of 8oji by Molmil
Galectin-3 in complex with Methyl 2,6-anhydro-3-deoxy-3-S-(b-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonate
分子名称: 1-thio-beta-D-galactopyranose, CHLORIDE ION, Galectin-3, ...
著者Tsagkarakou, A.S, Leonidas, D.D.
登録日2023-03-24
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
8OJK
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BU of 8ojk by Molmil
Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonamide
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ...
著者Tsagkarakou, A.S, Leonidas, D.D.
登録日2023-03-24
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023

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件を2024-10-16に公開中

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