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8A3B
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BU of 8a3b by Molmil
Cryo-EM structure of mouse Pannexin 1 purified in Salipro nanoparticles
Descriptor: Pannexin-1
Authors:Drulyte, I.
Deposit date:2022-06-07
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Direct cell extraction of membrane proteins for structure-function analysis.
Sci Rep, 13, 2023
5BK6
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BU of 5bk6 by Molmil
Structural and biochemical characterization of a non-canonical biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Putative amidase
Authors:Peat, T.S, Esquirol, L, Newman, J, Scott, C.
Deposit date:2017-09-12
Release date:2018-02-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural and biochemical characterization of the biuret hydrolase (BiuH) from the cyanuric acid catabolism pathway of Rhizobium leguminasorum bv. viciae 3841.
PLoS ONE, 13, 2018
6IDS
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BU of 6ids by Molmil
Crystal structure of Vibrio cholerae MATE transporter VcmN D35N mutant
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter
Authors:Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O.
Deposit date:2018-09-11
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter.
Structure, 27, 2019
6IDR
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BU of 6idr by Molmil
Crystal structure of Vibrio cholerae MATE transporter VcmN in the bent form
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MATE family efflux transporter
Authors:Kusakizako, T, Claxton, D.P, Tanaka, Y, Maturana, A.D, Kuroda, T, Ishitani, R, Mchaourab, H.S, Nureki, O.
Deposit date:2018-09-11
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter.
Structure, 27, 2019
4Y2Q
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BU of 4y2q by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
Descriptor: 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2R
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BU of 4y2r by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(piperazin-1-yl)nicotinonitrile
Descriptor: 2-(piperazin-1-yl)pyridine-3-carbonitrile, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
6LLG
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BU of 6llg by Molmil
Crystal Structure of Fagopyrum esculentum M UGT708C1
Descriptor: BENZAMIDINE, SULFATE ION, UDP-glycosyltransferase 708C1
Authors:Wang, X, Liu, M.
Deposit date:2019-12-23
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
6LYY
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BU of 6lyy by Molmil
Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate AZD3965 in the outward-open conformation.
Descriptor: 3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione, Basigin, Monocarboxylate transporter 1
Authors:Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
Deposit date:2020-02-16
Release date:2020-12-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
4Y2X
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BU of 4y2x by Molmil
Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol
Descriptor: 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
6LRC
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BU of 6lrc by Molmil
Human cGAS catalytic domain bound with the inhibitor PF-06928215
Descriptor: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xu, Y.C.
Deposit date:2020-01-15
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRL
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BU of 6lrl by Molmil
Human cGAS catalytic domain bound with compound s2
Descriptor: 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LLZ
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BU of 6llz by Molmil
Crystal Structure of Fagopyrum esculentum M UGT708C1 complexed with UDP-glucose
Descriptor: UDP-glycosyltransferase 708C1, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Wang, X, Liu, M.
Deposit date:2019-12-24
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
6M67
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BU of 6m67 by Molmil
The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6LRJ
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BU of 6lrj by Molmil
Human cGAS catalytic domain bound with compound 23
Descriptor: 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6J79
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BU of 6j79 by Molmil
Fusion protein of heme oxygenase-1 and NADPH-cytochrome P450 reductase (13aa)
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ...
Authors:Sugishima, M, Wada, K.
Deposit date:2019-01-17
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.331 Å)
Cite:Crystal structure of a NADPH-cytochrome P450 oxidoreductase (CYPOR) and heme oxygenase 1 fusion protein implies a conformational change in CYPOR upon NADPH/NADP+binding.
Febs Lett., 593, 2019
4Y2Y
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BU of 4y2y by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(2-fluorophenyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine
Descriptor: 2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
6LLW
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BU of 6llw by Molmil
Crystal Structure of Fagopyrum esculentum M UGT708C1 complexed with UDP
Descriptor: UDP-glycosyltransferase 708C1, URIDINE-5'-DIPHOSPHATE
Authors:Wang, X, Liu, M.
Deposit date:2019-12-23
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
4XZE
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BU of 4xze by Molmil
The crystal structure of Hazara virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
Deposit date:2015-02-04
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
6LTO
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BU of 6lto by Molmil
cryo-EM structure of full length human Pannexin1
Descriptor: Pannexin-1
Authors:Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D.
Deposit date:2020-01-23
Release date:2020-05-13
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for gating mechanism of Pannexin 1 channel.
Cell Res., 30, 2020
4Y2U
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BU of 4y2u by Molmil
Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate
Descriptor: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
3WSU
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BU of 3wsu by Molmil
Crystal structure of beta-mannanase from Streptomyces thermolilacinus
Descriptor: Beta-mannanase, GLYCEROL, SODIUM ION
Authors:Kumagai, Y, Yamashita, K, Okuyama, M, Hatanaka, T, Yao, M, Kimura, A.
Deposit date:2014-03-26
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition
Febs J., 282, 2015
6M68
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BU of 6m68 by Molmil
The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M66
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BU of 6m66 by Molmil
The Cryo-EM Structure of Human Pannexin 1
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
4Y2J
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BU of 4y2j by Molmil
Structure of soluble epoxide hydrolase in complex with N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
Descriptor: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2P
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BU of 4y2p by Molmil
Structure of soluble epoxide hydrolase in complex with N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
Descriptor: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015

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