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9BTS
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BU of 9bts by Molmil
Crystal structure of the bacterioferritin (Bfr) and ferritin (Ftn) heterooligomer complex from Acinetobacter baumannii
分子名称: Bacterioferritin (Bfr), Ferritin (Ftn), PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lovell, S, Liu, L, Battaile, K.P, Rivera, M.
登録日2024-05-15
公開日2024-08-14
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structure of Acinetobacter baumannii bacterioferritin reveals a heteropolymer of bacterioferritin and ferritin subunits.
Sci Rep, 14, 2024
5K3B
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Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate - Cocrystallized
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase, chloroacetic acid
著者Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
登録日2016-05-19
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
9BON
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BU of 9bon by Molmil
Crystal structure of glucosyltransferase (GTD) domain of TpeL
分子名称: TpeL
著者Gill, S, Sugiman-Marangos, S.N, Beilhartz, G.L, Mei, E, Taipale, M, Melnyk, R.A.
登録日2024-05-05
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.222 Å)
主引用文献A diphtheria toxin-like intracellular delivery platform that evades pre-existing antidrug antibodies.
Embo Mol Med, 2024
5K3N
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BU of 5k3n by Molmil
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209
分子名称: (3S)-3-(2H-1,3-benzodioxol-5-yl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one, Nuclear receptor ROR-gamma
著者Huang, P, Rastinejad, F, Lu, J.
登録日2016-05-19
公開日2017-05-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.666 Å)
主引用文献Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with ML209
To be published
6L3P
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BU of 6l3p by Molmil
Crystal strcuture of Feruloyl-CoA hydratase lyase(FCHL) complexed with CoA
分子名称: COENZYME A, GLYCEROL, Hydroxycinnamoyl-CoA hydratase-lyase
著者Seok, J, Seo, H, Kim, K.-J.
登録日2019-10-14
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinetic and structural analysis for bioproduction of vanillin by feruloyl-CoA hydratase/lyase from Pseudomonas putida KT2440
to be published
9B6I
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BU of 9b6i by Molmil
Cryo-EM structure of the avian great tit TRPM8 channel in complex with the antagonist TC-I 2014
分子名称: 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
著者Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y.
登録日2024-03-25
公開日2024-08-21
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Sci Adv, 10, 2024
9B75
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Crystal structure of humanized 44H10 Fab Version 17
分子名称: 1,2-ETHANEDIOL, h44H10-V17 Antibody, heavy chain, ...
著者Kassardjian, A, Julien, J.P.
登録日2024-03-27
公開日2024-08-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Humanization of Pan-HLA-DR mAb 44H10 Hinges on Critical Residues in the Antibody Framework.
Antibodies, 13, 2024
8I9E
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BU of 8i9e by Molmil
S-RBD(Omicron BA.3) in complex with PD of ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
著者Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
登録日2023-02-06
公開日2024-02-07
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural Basis for the Enhanced Infectivity and Immune Evasion of Omicron Subvariants.
Viruses, 15, 2023
5JYD
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BU of 5jyd by Molmil
Crystal Structure of a Putative Short Chain Dehydrogenase from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, IODIDE ION, MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-05-13
公開日2016-06-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献TBD
to be published
9BCM
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BU of 9bcm by Molmil
Crystal structure of the glycosyltransferase UGT95A1
分子名称: Glycosyltransferase
著者Pereira, J.H, Sirirungruang, S, Shih, P.M, Adams, P.D.
登録日2024-04-09
公開日2024-08-07
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural and biochemical basis for regiospecificity of the flavonoid glycosyltransferase UGT95A1.
J.Biol.Chem., 300, 2024
5JZS
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HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid
分子名称: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD, 3,5-dichloro-4-hydroxybenzoic acid
著者Ryan, A, Polycarpou, E, Lack, N, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E.D, Ballet, R, Abuhammad, A, Ciulli, A, Sim, E.
登録日2016-05-17
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
9B6F
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BU of 9b6f by Molmil
Cryo-EM structure of the mouse TRPM8 channel in complex with the antagonist AMG2850
分子名称: (8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8
著者Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y.
登録日2024-03-25
公開日2024-08-21
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Sci Adv, 10, 2024
5K4Q
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BU of 5k4q by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.3 angstroms
分子名称: GLYCEROL, L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Adjogatse, E.K, Cooper, J.B, Erskine, P.T.
登録日2016-05-21
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
9BHN
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BU of 9bhn by Molmil
Solution NMR structure of halichondamide A, a fused bicyclic cysteine knot undecapeptide from the marine sponge Halichondria bowerbanki
分子名称: Halichondamide A
著者Agarwal, V, McShan, A.C, Zhong, W.
登録日2024-04-21
公開日2024-08-21
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Discovery and Folding Dynamics of a Fused Bicyclic Cysteine Knot Undecapeptide from the Marine Sponge Halichondria bowerbanki.
J.Org.Chem., 89, 2024
9B1V
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BU of 9b1v by Molmil
Crystal structure of PqqT with PQQ and Gd3+ bound
分子名称: 1,2-ETHANEDIOL, GADOLINIUM ION, PYRROLOQUINOLINE QUINONE, ...
著者Boggs, G.D, Bruchs, A.T, Thompson, P.J, Olshansky, L, Bridwell-Rabb, J.
登録日2024-03-13
公開日2024-08-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-driven development of a biomimetic rare earth artificial metalloprotein.
Proc.Natl.Acad.Sci.USA, 121, 2024
5K5K
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Crystal structure of laccasse from Thermus thermophilus HB27 (ascorbic acid 10 min)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase
著者Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
登録日2016-05-23
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
9B6K
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Cryo-EM structure of the mouse TRPM8 channel in complex with Ca2+ in the absence of PI(4,5)P2
分子名称: CALCIUM ION, Transient receptor potential cation channel subfamily M member 8
著者Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y.
登録日2024-03-25
公開日2024-08-21
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.13 Å)
主引用文献Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Sci Adv, 10, 2024
5K01
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Crystal Structure of COMT in complex with 2,7-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine
分子名称: 2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION
著者Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
登録日2016-05-17
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.383 Å)
主引用文献Crystal Structure of COMT
To Be Published
9B6D
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BU of 9b6d by Molmil
Cryo-EM structure of the mouse TRPM8 channel in the ligand-free desensitized state
分子名称: CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8
著者Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y.
登録日2024-03-25
公開日2024-08-21
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Sci Adv, 10, 2024
9B6E
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Cryo-EM structure of the mouse TRPM8 channel in complex with the antagonist TC-I 2014
分子名称: 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8
著者Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y.
登録日2024-03-25
公開日2024-08-21
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Sci Adv, 10, 2024
5K0B
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BU of 5k0b by Molmil
Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(1-phenylethyl)-1H-pyrazol-5-yl]-1,3-thiazole
分子名称: 1,2-ETHANEDIOL, 2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ...
著者Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
登録日2016-05-17
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
9B6J
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BU of 9b6j by Molmil
Cryo-EM structure of the mouse TRPM8 channel in complex with PI(4,5)P2 and Ca2+
分子名称: CALCIUM ION, Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
著者Yin, Y, Park, C.-G, Zhang, F, Fedor, J, Feng, S, Suo, Y, Im, W, Lee, S.-Y.
登録日2024-03-25
公開日2024-08-21
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Mechanisms of sensory adaptation and inhibition of the cold and menthol receptor TRPM8.
Sci Adv, 10, 2024
1L5V
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Crystal Structure of the Maltodextrin Phosphorylase complexed with Glucose-1-phosphate
分子名称: 1-O-phosphono-alpha-D-glucopyranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MALTODEXTRIN PHOSPHORYLASE, ...
著者Geremia, S, Campagnolo, M, Schinzel, R, Johnson, L.N.
登録日2002-03-08
公開日2002-04-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enzymatic catalysis in crystals of Escherichia coli maltodextrin phosphorylase
J.Mol.Biol., 322, 2002
9BOQ
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Human p97/VCP structure with a triazole inhibitor (NSC799462/dodecamer)
分子名称: 3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Nandi, P, DeVore, K, Chiu, P.-L.
登録日2024-05-05
公開日2024-08-21
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
9BOO
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Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Chen, P, Arutyunova, E, Lemieux, M.J.
登録日2024-05-05
公開日2024-08-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV.
Jacs Au, 4, 2024

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件を2025-07-09に公開中

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