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5KD7
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BU of 5kd7 by Molmil
Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PV9) of HIV gp120 MN Isolate (IGPGRAFYV)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Jiang, J, Natarajan, K, Margulies, D.
登録日2016-06-07
公開日2017-10-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
5KD4
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BU of 5kd4 by Molmil
Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PVI10) of HIV gp120 MN Isolate (IGPGRAFYVI)
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-D alpha chain, ...
著者Jiang, J, Natarajan, K, Margulies, D.
登録日2016-06-07
公開日2017-10-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
3BYZ
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BU of 3byz by Molmil
2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
分子名称: (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J, Jordan, S.R, Li, V.
登録日2008-01-16
公開日2008-02-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice.
J.Med.Chem., 51, 2008
5N8C
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BU of 5n8c by Molmil
Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor
分子名称: (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J.
登録日2017-02-23
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based discovery of LpxC inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6NBN
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BU of 6nbn by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidonic acid
分子名称: AAEL005772-PA, ARACHIDONIC ACID
著者Jones, D.N, Wang, J.
登録日2018-12-07
公開日2018-12-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
8IW5
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BU of 8iw5 by Molmil
Crystal structure of liprin-beta H2H3 dimer
分子名称: CALCIUM ION, Liprin-beta-1
著者Zhang, J, Chen, S, Wei, Z.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
8IW0
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BU of 8iw0 by Molmil
Crystal structure of the KANK1/liprin-beta1 complex
分子名称: Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1
著者Zhang, J, Chen, S, Wei, Z, Yu, C.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
6OGH
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BU of 6ogh by Molmil
Structure of Aedes aegypti OBP22 in the complex with linoleic acid
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AAEL005772-PA, CADMIUM ION, ...
著者Jones, D.N, Wang, J.
登録日2019-04-02
公開日2019-04-24
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6OG0
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BU of 6og0 by Molmil
Structure of Aedes aegypti OBP22
分子名称: AAEL005772-PA, CADMIUM ION, CHLORIDE ION
著者Jones, D.N, Wang, J.
登録日2019-04-01
公開日2019-04-17
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6OII
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BU of 6oii by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidonic acid
分子名称: 1,2-ETHANEDIOL, AAEL005772-PA, ARACHIDONIC ACID, ...
著者Jones, D.N, Wang, J.
登録日2019-04-09
公開日2019-05-08
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6OMW
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BU of 6omw by Molmil
Structure of Aedes aegypti OBP22 in the complex with palmitoleic acid
分子名称: AAEL005772-PA, MALONIC ACID, PALMITOLEIC ACID
著者Jones, D.N, Wang, J.
登録日2019-04-19
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6OPB
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BU of 6opb by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidic acid
分子名称: AAEL005772-PA, DIMETHYL SULFOXIDE, icosanoic acid
著者Jones, D.N, Wang, J.
登録日2019-04-24
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
8THH
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BU of 8thh by Molmil
Cryo-EM structure of Nav1.7 with LTG
分子名称: (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-07-16
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
8THG
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BU of 8thg by Molmil
Cryo-EM structure of Nav1.7 with RLZ
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-07-16
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
6POL
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BU of 6pol by Molmil
Crystal structure of the human NELL1 EGF1-3-Robo3 FN1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Wang, J, Pak, J.S, Ozkan, E.
登録日2019-07-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance.
Nat Commun, 11, 2020
5JIQ
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BU of 5jiq by Molmil
Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)
分子名称: GLYCEROL, SODIUM ION, Transthyretin, ...
著者Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
登録日2016-04-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
6POK
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BU of 6pok by Molmil
Crystal structure of the Robo3 FN2-3 domains
分子名称: GLYCEROL, Roundabout homolog 3
著者Wang, J, Pak, J.S, Ozkan, E.
登録日2019-07-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance.
Nat Commun, 11, 2020
6POG
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BU of 6pog by Molmil
Crystal structure of the NELL2 EGF1-6-Robo3 FN1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wang, J, Pak, J.S, Ozkan, E.
登録日2019-07-03
公開日2020-05-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.755 Å)
主引用文献NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance.
Nat Commun, 11, 2020
6GON
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BU of 6gon by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in PEG
分子名称: Transthyretin, pentadecafluorooctanoic acid
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-01
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNP
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BU of 6gnp by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)
分子名称: 3,5,6-trichloro-2-pyridinol, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.019 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
7UW6
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BU of 7uw6 by Molmil
The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2
分子名称: 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid, Low molecular weight phosphotyrosine protein phosphatase
著者Wang, J, Zhang, Z.Y.
登録日2022-05-02
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors.
J.Med.Chem., 65, 2022
6GRP
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BU of 6grp by Molmil
Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)
分子名称: 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-12
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNO
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BU of 6gno by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA)
分子名称: 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SULFATE ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNW
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BU of 6gnw by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T)
分子名称: 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
5XLN
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BU of 5xln by Molmil
Crystal structure of the TRS_UNE-T and 4EHP complex
分子名称: Eukaryotic translation initiation factor 4E type 2, Threonine--tRNA ligase, cytoplasmic
著者Hwang, J, Nguyen, L.T, Kim, M.H.
登録日2017-05-11
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A threonyl-tRNA synthetase-mediated translation initiation machinery.
Nat Commun, 10, 2019

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