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4PJA
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BU of 4pja by Molmil
Structure of human MR1-5-OP-RU in complex with human MAIT B-B10 TCR
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-05-12
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
1Y6R
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BU of 1y6r by Molmil
Crystal structure of MTA/AdoHcy nucleosidase complexed with MT-ImmA.
Descriptor: (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, MTA/SAH nucleosidase
Authors:Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L.
Deposit date:2004-12-06
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
J.Biol.Chem., 280, 2005
6GLZ
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BU of 6glz by Molmil
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299D
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ...
Authors:Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
Deposit date:2018-05-24
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
2WSS
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BU of 2wss by Molmil
The structure of the membrane extrinsic region of bovine ATP synthase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA, MITOCHONDRIAL, ...
Authors:Rees, D.M, Leslie, A.G.W, Walker, J.E.
Deposit date:2009-09-09
Release date:2009-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Structure of the Membrane Extrinsic Region of Bovine ATP Synthase
Proc.Natl.Acad.Sci.USA, 106, 2009
7CNX
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BU of 7cnx by Molmil
Crystal structure of Apo PSD from E. coli (2.63 A)
Descriptor: Phosphatidylserine decarboxylase alpha chain, Phosphatidylserine decarboxylase beta chain
Authors:Kim, J, Cho, G.
Deposit date:2020-08-03
Release date:2021-03-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural insights into phosphatidylethanolamine formation in bacterial membrane biogenesis.
Sci Rep, 11, 2021
7CNZ
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BU of 7cnz by Molmil
Crystal structure of 10PE bound PSD from E. coli (2.70 A)
Descriptor: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, PHOSPHATE ION, Phosphatidylserine decarboxylase alpha chain, ...
Authors:Kim, J, Cho, G.
Deposit date:2020-08-03
Release date:2021-03-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into phosphatidylethanolamine formation in bacterial membrane biogenesis.
Sci Rep, 11, 2021
4H38
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BU of 4h38 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1297
Descriptor: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
6GM3
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BU of 6gm3 by Molmil
[FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant R286A
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ...
Authors:Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
Deposit date:2018-05-24
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
4H3C
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BU of 4h3c by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-987
Descriptor: (2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
1Q9I
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BU of 1q9i by Molmil
The A251C:S430C double mutant of flavocytochrome c3 from Shewanella frigidimarina
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, HEME C, MALATE LIKE INTERMEDIATE, ...
Authors:Rothery, E.L, Mowat, C.G, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
Deposit date:2003-08-25
Release date:2004-05-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing Domain Mobility in a Flavocytochrome
Biochemistry, 42, 2004
4H8W
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BU of 4h8w by Molmil
Crystal structure of non-neutralizing and ADCC-potent antibody N5-i5 in complex with HIV-1 clade A/E gp120 and sCD4.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB HEAVY CHAIN OF ADCC AND NON-NEUTRALIZING ANTI-HIV-1 ANTIBODY N5-I5, ...
Authors:Tolbert, W.D, Acharya, P, Kwong, P.D, Pazgier, M.
Deposit date:2012-09-24
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
3P61
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BU of 3p61 by Molmil
Crystal structure of the mutant R160A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-monophosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2010-10-11
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.396 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
3UTC
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BU of 3utc by Molmil
Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate
Descriptor: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-25
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
2KGA
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BU of 2kga by Molmil
NMR Solution Structures of hexanoyl ACP (a non natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate
Authors:Crump, M.P, Evans, S.E, Williams, C.
Deposit date:2009-03-07
Release date:2009-04-14
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
1Y6Q
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BU of 1y6q by Molmil
Cyrstal structure of MTA/AdoHcy nucleosidase complexed with MT-DADMe-ImmA
Descriptor: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, CHLORIDE ION, MTA/SAH nucleosidase
Authors:Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L.
Deposit date:2004-12-06
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase.
J.Biol.Chem., 280, 2005
5C6F
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BU of 5c6f by Molmil
Crystal structures of ferritin mutants reveal side-on binding to diiron and end-on cleavage of oxygen
Descriptor: Bacterial non-heme ferritin, FE (III) ION, IMIDAZOLE
Authors:Kim, S, Kim, K.H, Seok, J.H, Park, Y.H, Jung, S.W, Chung, Y.B, Lee, D.B, Lee, J.H, Han, K.R, Cho, A.E, Lee, C, Chung, M.S.
Deposit date:2015-06-23
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria.
J. Mol. Biol., 428, 2016
6GM5
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BU of 6gm5 by Molmil
[FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii,variant E141A
Descriptor: CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER, ...
Authors:Duan, J, Engelbrecht, V, Esselborn, J, Hofmann, E, Winkler, M, Happe, T.
Deposit date:2018-05-24
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases.
Nat Commun, 9, 2018
2B2E
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BU of 2b2e by Molmil
RNA stemloop from bacteriophage MS2 complexed with an N87S,E89K mutant MS2 capsid
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein
Authors:Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G.
Deposit date:2005-09-19
Release date:2006-05-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2
Structure, 14, 2006
5TM9
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BU of 5tm9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, (E)-3-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)acrylic acid
Descriptor: 3-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}prop-2-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMR
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BU of 5tmr by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(cyclohexylidene(4-hydroxyphenyl)methyl)phenyl)acrylate
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, ethyl 3-{4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenyl}prop-2-enoate
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.296 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN1
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BU of 5tn1 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,E)-17-((4-isopropylphenyl)imino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
Descriptor: (9beta,13alpha,17Z)-17-{[4-(propan-2-yl)phenyl]imino}estra-1,3,5(10)-trien-3-ol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
2Q8Q
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BU of 2q8q by Molmil
Crystal Structure of S. aureus IsdE complexed with heme
Descriptor: Iron-regulated surface determinant E, PROTOPORPHYRIN IX CONTAINING FE
Authors:Grigg, J.C, Murphy, M.E.
Deposit date:2007-06-11
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Heme Coordination by Staphylococcus aureus IsdE.
J.Biol.Chem., 282, 2007
1P9R
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BU of 1p9r by Molmil
Crystal Structure of Vibrio cholerae putative NTPase EpsE
Descriptor: CHLORIDE ION, General secretion pathway protein E, ZINC ION
Authors:Robien, M.A, Krumm, B.E, Sandkvist, M, Hol, W.G.J.
Deposit date:2003-05-12
Release date:2003-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the extracellular protein secretion NTPase EpsE of Vibrio cholerae
J.Mol.Biol., 333, 2003
1DMU
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BU of 1dmu by Molmil
Crystal structure of the restriction endonuclease BglI (e.c.3.1.21.4) bound to its dna recognition sequence
Descriptor: BETA-MERCAPTOETHANOL, BGLI RESTRICTION ENDONUCLEASE, CALCIUM ION, ...
Authors:Newman, M, Lunnen, K, Wilson, G, Greci, J, Schildkraut, I, Phillips, S.E.V.
Deposit date:1999-12-15
Release date:1999-12-18
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of restriction endonuclease BglI bound to its interrupted DNA recognition sequence.
EMBO J., 17, 1998
1PNM
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BU of 1pnm by Molmil
PENICILLIN ACYLASE HAS A SINGLE-AMINO-ACID CATALYTIC CENTRE
Descriptor: CALCIUM ION, PENICILLIN AMIDOHYDROLASE, phenylmethanesulfonic acid
Authors:Duggleby, H.J, Moody, P.C.E.
Deposit date:1995-03-16
Release date:1996-03-16
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Penicillin acylase has a single-amino-acid catalytic centre.
Nature, 373, 1995

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数据于2024-07-10公开中

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