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5JIQ
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BU of 5jiq by Molmil
Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)
Descriptor: GLYCEROL, SODIUM ION, Transthyretin, ...
Authors:Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-04-22
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
4N5G
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BU of 4n5g by Molmil
Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012
Descriptor: 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha
Authors:Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C.
Deposit date:2013-10-09
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
3OIG
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BU of 3oig by Molmil
Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and INH)
Descriptor: (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E.
Deposit date:2010-08-19
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis
J.Mol.Biol., 406, 2011
5ZLR
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BU of 5zlr by Molmil
Structure of NeuC
Descriptor: GDP/UDP-N,N'-diacetylbacillosamine 2-epimerase (Hydrolyzing), LITHIUM ION, SULFATE ION
Authors:Ko, T.P, Hsieh, T.J, Yang, C.S, Chen, Y.
Deposit date:2018-03-29
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:The tetrameric structure of sialic acid-synthesizing UDP-GlcNAc 2-epimerase fromAcinetobacter baumannii: A comparative study with human GNE.
J. Biol. Chem., 293, 2018
4N8R
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BU of 4n8r by Molmil
Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008
Descriptor: 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha
Authors:Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C.
Deposit date:2013-10-17
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
3LBG
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BU of 3lbg by Molmil
Urate oxidase complexed with 8-thio xanthine
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione, ...
Authors:Prange, T, Colloc'h, N, Gabison, L.
Deposit date:2010-01-08
Release date:2010-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
2XN1
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BU of 2xn1 by Molmil
Structure of alpha-galactosidase from Lactobacillus acidophilus NCFM with TRIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-GALACTOSIDASE, GLYCEROL
Authors:Fredslund, F, Abou Hachem, M, Larsen, R.J, Sorensen, P.G, Lo Leggio, L, Svensson, B.
Deposit date:2010-07-30
Release date:2011-08-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Alpha-Galactosidase from Lactobacillus Acidophilus Ncfm: Insight Into Tetramer Formation and Substrate Binding.
J.Mol.Biol., 412, 2011
7QQ0
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BU of 7qq0 by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (2)
Descriptor: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), RHODIUM(II) ION, ...
Authors:Loreto, D, Merlino, A.
Deposit date:2022-01-05
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
5DED
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BU of 5ded by Molmil
Crystal structure of the small alarmone synthethase 1 from Bacillus subtilis bound to its product pppGpp
Descriptor: GTP pyrophosphokinase YjbM, MAGNESIUM ION, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
Authors:Steinchen, W, Schuhmacher, J.S, Altegoer, F, Bange, G.
Deposit date:2015-08-25
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.942 Å)
Cite:Catalytic mechanism and allosteric regulation of an oligomeric (p)ppGpp synthetase by an alarmone.
Proc.Natl.Acad.Sci.USA, 112, 2015
7Y3L
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BU of 7y3l by Molmil
Structure of SALL3 ZFC4 bound with 12 bp AT-rich dsDNA
Descriptor: DNA (12-mer), Sal-like protein 3, ZINC ION
Authors:Ru, W, Xu, C.
Deposit date:2022-06-11
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies of SALL family protein zinc finger cluster domains in complex with DNA reveal preferential binding to an AATA tetranucleotide motif.
J.Biol.Chem., 298, 2022
6QVH
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BU of 6qvh by Molmil
Streptomyces lividans Ccsp mutant - H113A
Descriptor: COPPER (I) ION, cytosolic copper storage protein
Authors:Straw, M.L, Hough, M.A.
Deposit date:2019-03-01
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:A Histidine Residue and a Tetranuclear Cuprous-thiolate Cluster Dominate the Copper Loading Landscape of a Copper Storage Protein from Streptomyces lividans.
Chemistry, 25, 2019
2XN0
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BU of 2xn0 by Molmil
Structure of alpha-galactosidase from Lactobacillus acidophilus NCFM, PtCl4 derivative
Descriptor: ALPHA-GALACTOSIDASE, GLYCEROL, PLATINUM (II) ION
Authors:Fredslund, F, Abou Hachem, M, Larsen, R.J, Sorensen, P.G, Lo Leggio, L, Svensson, B.
Deposit date:2010-07-30
Release date:2011-08-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Alpha-Galactosidase from Lactobacillus Acidophilus Ncfm: Insight Into Tetramer Formation and Substrate Binding.
J.Mol.Biol., 412, 2011
8ELO
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BU of 8elo by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-225
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-09-26
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ELQ
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BU of 8elq by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-255
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-09-26
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
5DU8
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BU of 5du8 by Molmil
Crystal structure of M. tuberculosis EchA6 bound to GSK572A
Descriptor: (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6
Authors:Cox, J.A.G, Besra, G.S, Futterer, K.
Deposit date:2015-09-18
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
8ELP
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BU of 8elp by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-240
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-09-26
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Fully synthetic platform to rapidly generate tetravalent bispecific nanobody-based immunoglobulins.
Proc.Natl.Acad.Sci.USA, 120, 2023
6R01
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BU of 6r01 by Molmil
Streptomyces lividans Ccsp mutant - H107A/H111A
Descriptor: COPPER (I) ION, Cytosolic copper storage protein
Authors:Straw, M.L, Hough, M.A, Worrall, J.A.
Deposit date:2019-03-12
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:A Histidine Residue and a Tetranuclear Cuprous-thiolate Cluster Dominate the Copper Loading Landscape of a Copper Storage Protein from Streptomyces lividans.
Chemistry, 25, 2019
3I5C
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BU of 3i5c by Molmil
Crystal structure of a fusion protein containing the leucine zipper of GCN4 and the GGDEF domain of WspR from Pseudomonas aeruginosa
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Fusion of General control protein GCN4 and WSPR response regulator protein, MAGNESIUM ION
Authors:Navarro, M.V.A.S, De, N, Sondermann, H.
Deposit date:2009-07-03
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Determinants for the activation and autoinhibition of the diguanylate cyclase response regulator WspR.
J.Mol.Biol., 393, 2009
4WY4
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BU of 4wy4 by Molmil
Crystal structure of autophagic SNARE complex
Descriptor: Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8
Authors:Zhao, M, Brunger, A.T.
Deposit date:2014-11-15
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:ATG14 promotes membrane tethering and fusion of autophagosomes to endolysosomes.
Nature, 520, 2015
4JEP
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BU of 4jep by Molmil
Crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 (NTPDase1)
Descriptor: Nucleoside-triphosphatase 2
Authors:Krug, U, Totzauer, R, Strater, N.
Deposit date:2013-02-27
Release date:2013-04-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 represents a conformational intermediate in the reductive activation mechanism of the tetrameric enzyme.
Proteins, 81, 2013
6PVC
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BU of 6pvc by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-DB28
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-20
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Ligand-dependent downregulation of MR1 cell surface expression.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PVD
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BU of 6pvd by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-NV18.1
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-20
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Ligand-dependent downregulation of MR1 cell surface expression.
Proc.Natl.Acad.Sci.USA, 117, 2020
6GE1
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BU of 6ge1 by Molmil
Solution structure of the r(UGGUGGU)4 RNA quadruplex
Descriptor: RNA (5'-R(*UP*GP*GP*UP*GP*GP*U)-3')
Authors:Andralojc, W, Gdaniec, Z.
Deposit date:2018-04-25
Release date:2018-10-31
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Unraveling the structural basis for the exceptional stability of RNA G-quadruplexes capped by a uridine tetrad at the 3' terminus.
RNA, 25, 2019
2ZAT
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BU of 2zat by Molmil
Crystal structure of a mammalian reductase
Descriptor: Dehydrogenase/reductase SDR family member 4, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Tanaka, N, Aoki, K, Nakamura, K.T.
Deposit date:2007-10-10
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for peroxisomal localization of tetrameric carbonyl reductase.
Structure, 16, 2008
5AYJ
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BU of 5ayj by Molmil
Hyperthermostable mutant of Bacillus sp. TB-90 Urate Oxidase - R298C
Descriptor: 9-METHYL URIC ACID, HEXAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Hibi, T, Kume, A, Kawamura, A, Itoh, T, Nishiya, Y.
Deposit date:2015-08-21
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Hyperstabilization of Tetrameric Bacillus sp. TB-90 Urate Oxidase by Introducing Disulfide Bonds through Structural Plasticity
Biochemistry, 55, 2016

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数据于2024-07-10公开中

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