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4Y2T
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Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol
Descriptor: 3-[4-(benzyloxy)phenyl]propan-1-ol, 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
5CB3
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BU of 5cb3 by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase
Authors:Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
4Y2V
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BU of 4y2v by Molmil
Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
Descriptor: (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid, 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
5CKQ
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BU of 5ckq by Molmil
CUB1-EGF-CUB2 domains of rat MASP-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine protease 1, ...
Authors:Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J.
Deposit date:2015-07-15
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.704 Å)
Cite:Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
4Y2S
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BU of 4y2s by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
Descriptor: 1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 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
4Y7E
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BU of 4y7e by Molmil
Crystal structure of beta-mannanase from Streptomyces thermolilacinus with mannohexaose
Descriptor: CALCIUM ION, Endoglucanase, GLYCEROL, ...
Authors:Kumagai, Y, Yamashita, K, Okuyama, M, Hatanaka, T, Yao, M, Kimura, A.
Deposit date:2015-02-14
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition
Febs J., 282, 2015
5COK
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BU of 5cok by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-0476
Descriptor: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, HIV-1 protease
Authors:Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
J.Virol., 90, 2015
8AHW
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BU of 8ahw by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL
Authors:de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
Deposit date:2022-07-22
Release date:2023-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
5COP
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BU of 5cop by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-097
Descriptor: (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate, HIV-1 protease
Authors:Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
J.Virol., 90, 2015
3WO2
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BU of 3wo2 by Molmil
Crystal structure of human interleukin-18
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Interleukin-18, SULFATE ION
Authors:Tsutsumi, N, Kimura, T, Arita, K, Ariyoshi, M, Ohnishi, H, Kondo, N, Shirakawa, M, Kato, Z, Tochio, H.
Deposit date:2013-12-19
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The structural basis for receptor recognition of human interleukin-18
Nat Commun, 5, 2014
3WKT
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BU of 3wkt by Molmil
Complex structure of an open form of NADPH-cytochrome P450 reductase and heme oxygenase-1
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1, ...
Authors:Sugishima, M, Sato, H, Higashimoto, Y, Harada, J, Wada, K, Fukuyama, K, Noguchi, M.
Deposit date:2013-10-31
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Structural basis for the electron transfer from an open form of NADPH-cytochrome P450 oxidoreductase to heme oxygenase.
Proc.Natl.Acad.Sci.USA, 111, 2014
5CB5
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BU of 5cb5 by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
Descriptor: ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, ...
Authors:Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
6IJA
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BU of 6ija by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with UDP-L-rhamnose
Descriptor: UDP-glycosyltransferase 89C1, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Authors:Zong, G, Wang, X.
Deposit date:2018-10-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.214 Å)
Cite:Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
6IDP
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BU of 6idp by Molmil
Crystal structure of Vibrio cholerae MATE transporter VcmN in the straight 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 (2.205 Å)
Cite:Structural Basis of H+-Dependent Conformational Change in a Bacterial MATE Transporter.
Structure, 27, 2019
5CON
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BU of 5con by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-015
Descriptor: (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, HIV-1 protease
Authors:Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
J.Virol., 90, 2015
5COO
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BU of 5coo by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-085
Descriptor: (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, HIV-1 protease
Authors:Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
J.Virol., 90, 2015
5CMS
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BU of 5cms by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, SULFATE ION
Authors:Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
Deposit date:2015-07-17
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
4WZP
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BU of 4wzp by Molmil
Ser65 phosphorylated ubiquitin, major conformation
Descriptor: SULFATE ION, ubiquitin
Authors:Wauer, T, Wagstaff, J, Freund, S.M.V, Komander, D.
Deposit date:2014-11-20
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ubiquitin Ser65 phosphorylation affects ubiquitin structure, chain assembly and hydrolysis.
Embo J., 34, 2015
6H8M
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BU of 6h8m by Molmil
Crystal structure of the third SRCR domain of Murine Neurotrypsin.
Descriptor: Neurotrypsin
Authors:Canciani, A, Forneris, F.
Deposit date:2018-08-02
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of the third scavenger receptor cysteine-rich domain of murine neurotrypsin.
Protein Sci., 28, 2019
4Y4L
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BU of 4y4l by Molmil
Crystal structure of yeast Thi4-C205S
Descriptor: (2E)-2-[(2S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid, Thiamine thiazole synthase
Authors:Zhang, X, Ealick, S.E.
Deposit date:2015-02-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
4AQF
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BU of 4aqf by Molmil
X-ray crystallographic structure of Crimean-congo haemorrhagic fever virus nucleoprotein
Descriptor: NUCLEOPROTEIN, SULFATE ION
Authors:Wang, Y, Dutta, S, Karlberg, H, Devignot, S, Weber, F, Hao, Q, Tan, Y.J, Mirazimi, A, Kotaka, M.
Deposit date:2012-04-17
Release date:2012-09-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of Crimean-Congo Haemorraghic Fever Virus Nucleoprotein: Superhelical Homo-Oligomers and the Role of Caspase-3 Cleavage.
J.Virol., 86, 2012
6IJ7
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BU of 6ij7 by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Rhamnosyltransferase protein
Authors:Zong, G, Wang, X.
Deposit date:2018-10-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
4AUE
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BU of 4aue by Molmil
Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J.
Deposit date:2012-05-17
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
6IJD
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BU of 6ijd by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1 complexed with quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, UDP-glycosyltransferase 89C1
Authors:Zong, G, Wang, X.
Deposit date:2018-10-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.206 Å)
Cite:Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
8B8H
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BU of 8b8h by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS
Descriptor: (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ...
Authors:de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
Deposit date:2022-10-04
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023

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