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4XMB
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BU of 4xmb by Molmil
Crystal structure of 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide bound to human Keap1 Kelch domain
Descriptor: 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide, Kelch-like ECH-associated protein 1
Authors:Luciano, J.P, Ryuzoji, A.F, Mesecar, A.D.
Deposit date:2015-01-14
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.428 Å)
Cite:Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators.
Eur.J.Med.Chem., 103, 2015
1FI1
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BU of 1fi1 by Molmil
FhuA in complex with lipopolysaccharide and rifamycin CGP4832
Descriptor: 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ...
Authors:Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W.
Deposit date:2000-08-03
Release date:2001-08-29
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA.
Structure, 9, 2001
3TW7
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BU of 3tw7 by Molmil
Structure of Rhizobium etli pyruvate carboxylase T882A crystallized without acetyl coenzyme-A
Descriptor: CHLORIDE ION, MAGNESIUM ION, Pyruvate carboxylase protein, ...
Authors:St Maurice, M, Kumar, S, Lietzan, A.D.
Deposit date:2011-09-21
Release date:2011-10-12
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Interaction between the biotin carboxyl carrier domain and the biotin carboxylase domain in pyruvate carboxylase from Rhizobium etli.
Biochemistry, 50, 2011
5XOZ
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BU of 5xoz by Molmil
Crystal structure of a Kunitz type trypsin inhibitor from Cicer arietinumL
Descriptor: Trypsin protein inhibitor 2
Authors:Bendre, A.D, Suresh, C.G, Ramasamy, S.
Deposit date:2017-05-31
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L.
J.Biomol.Struct.Dyn., 37, 2019
8VKZ
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BU of 8vkz by Molmil
Crystal structure of Glucocorticoid Receptor in complex with an inhibitor
Descriptor: (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2024-01-10
Release date:2024-01-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties.
Rsc Med Chem, 15, 2024
1FCP
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BU of 1fcp by Molmil
FERRIC HYDROXAMATE UPTAKE RECEPTOR (FHUA) FROM E.COLI IN COMPLEX WITH BOUND FERRICHROME-IRON
Descriptor: 2-TRIDECANOYLOXY-PENTADECANOIC ACID, 3-OXO-PENTADECANOIC ACID, ACETOACETIC ACID, ...
Authors:Hofmann, E, Ferguson, A.D, Diederichs, K, Welte, W.
Deposit date:1998-10-14
Release date:1999-01-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Siderophore-mediated iron transport: crystal structure of FhuA with bound lipopolysaccharide.
Science, 282, 1998
4NBS
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BU of 4nbs by Molmil
The structure of aIF2gamma subunit H20F from archaeon Sulfolobus solfataricus complexed with GDPCP
Descriptor: FORMIC ACID, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Kravchenko, O.V, Nikonov, O.S, Arhipova, V.I, Stolboushkina, E.A, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V.
Deposit date:2013-10-23
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:The structure of aIF2gamma subunit H20F from archaeon Sulfolobus solfataricus complexed with GDPCP
To be Published
3CB0
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BU of 3cb0 by Molmil
CobR
Descriptor: 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE, FLAVIN MONONUCLEOTIDE
Authors:Lawrence, A.D, Warren, M.J, Pickersgill, R.W.
Deposit date:2008-02-21
Release date:2008-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification, characterization, and structure/function analysis of a corrin reductase involved in adenosylcobalamin biosynthesis
J.Biol.Chem., 283, 2008
4UX6
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BU of 4ux6 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
Deposit date:2014-08-19
Release date:2014-10-08
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
2G8T
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BU of 2g8t by Molmil
Indole-amidine Complexes with Bovine Trypsin
Descriptor: 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE, CALCIUM ION, Cationic trypsin, ...
Authors:Kline, A.D, Briggs, S.L, Subramaniam, S.
Deposit date:2006-03-03
Release date:2006-09-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Ligand Epitoping By Proton NMR Chemical Shift Differences
To be published
2G5V
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BU of 2g5v by Molmil
Indole-amidine Complexes with Bovine Trypsin
Descriptor: 2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE, CALCIUM ION, Cationic trypsin
Authors:Kline, A.D, Briggs, S.L, Subramaniam, S.
Deposit date:2006-02-23
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Ligand Epitoping By Proton NMR Chemical Shift Differences
To be published
2GBR
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BU of 2gbr by Molmil
Crystal Structure of the 35-36 MoaD Insertion Mutant of Ubiquitin
Descriptor: CADMIUM ION, Ubiquitin
Authors:Ferraro, D.M, Ferraro, D.J, Ramaswamy, S, Robertson, A.D.
Deposit date:2006-03-10
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Ubiquitin Insertion Mutants Support Site-specific Reflex Response to Insertions Hypothesis.
J.Mol.Biol., 359, 2006
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
6H7A
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BU of 6h7a by Molmil
Structure of Leishmania PABP1 (domain J).
Descriptor: PABP1 domain J
Authors:Cameron, A.D, Firczuk, H, dos Santos Rodrigues, F.H, McCarthy, J.E.G.
Deposit date:2018-07-31
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Leishmania PABP1-eIF4E4 interface: a novel 5'-3' interaction architecture for trans-spliced mRNAs.
Nucleic Acids Res., 47, 2019
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
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
9AVL
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BU of 9avl by Molmil
Structure of human calcium-sensing receptor in complex with Gi3 protein in nanodiscs
Descriptor: (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
Deposit date:2024-03-04
Release date:2024-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
9AYF
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BU of 9ayf by Molmil
Structure of human calcium-sensing receptor in complex with Gi1 (miniGi1) protein in detergent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ...
Authors:Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
Deposit date:2024-03-07
Release date:2024-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
9AXF
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BU of 9axf by Molmil
Structure of human calcium-sensing receptor in complex with chimeric Gq (miniGisq) protein in detergent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ...
Authors:Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
Deposit date:2024-03-06
Release date:2024-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
8Q9Z
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BU of 8q9z by Molmil
Cryo-EM structure of Cx26 gap junction K125E mutant in bicarbonate buffer (classification on hemichannel)
Descriptor: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
Authors:Brotherton, D.H, Cameron, A.D.
Deposit date:2023-08-22
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structures of wild-type and a constitutively closed mutant of connexin26 shed light on channel regulation by CO2
Elife, 13:RP93686, 2024
8QA0
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BU of 8qa0 by Molmil
Cryo-EM structure of Cx26 solubilised in LMNG - hemichannel classification - NConst conformation
Descriptor: Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
Authors:Brotherton, D.H, Cameron, A.D.
Deposit date:2023-08-22
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structures of wild-type and a constitutively closed mutant of connexin26 shed light on channel regulation by CO2
Elife, 13:RP93686, 2024
8QA1
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BU of 8qa1 by Molmil
Cryo-EM structure of Cx26 solubilised in LMNG - Hemichannel classification NFlex conformation
Descriptor: Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
Authors:Brotherton, D.H, Cameron, A.D.
Deposit date:2023-08-22
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structures of wild-type and a constitutively closed mutant of connexin26 shed light on channel regulation by CO2
Elife, 13:RP93686, 2024
8QA2
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BU of 8qa2 by Molmil
Cryo-EM structure of Cx26 solubilised in LMNG: classification on subunit A; Nconst-mon conformation
Descriptor: Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
Authors:Brotherton, D.H, Cameron, A.D.
Deposit date:2023-08-22
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structures of wild-type and a constitutively closed mutant of connexin26 shed light on channel regulation by CO2
Elife, 13:RP93686, 2024
8QA3
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BU of 8qa3 by Molmil
Cryo-EM structure of Cx26 solubilised in LMNG: classification on subunit A; NFlex conformation
Descriptor: Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
Authors:Brotherton, D.H, Cameron, A.D.
Deposit date:2023-08-22
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structures of wild-type and a constitutively closed mutant of connexin26 shed light on channel regulation by CO2
Elife, 13:RP93686, 2024
9AVG
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BU of 9avg by Molmil
Structure of human calcium-sensing receptor in complex with chimeric Gs (miniGis) protein in nanodiscs
Descriptor: (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R.
Deposit date:2024-03-02
Release date:2024-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024

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