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6BWW
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BU of 6bww by Molmil
Crystal structure of an acetate and Cymal-5 bound cytochrome P450 2B4 F429H mutant
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ACETATE ION, Cytochrome P450 2B4, ...
Authors:Yang, Y.T, Waskell, L.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of cytochrome P450 2B4 with an acetate ligand and an active site hydrogen bond network similar to oxyferrous P450cam.
J.Inorg.Biochem., 185, 2018
6C51
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BU of 6c51 by Molmil
Cross-alpha Amyloid-like Structure alphaAmL
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmL, PHOSPHATE ION
Authors:Liu, L, Zhang, S.Q.
Deposit date:2018-01-13
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
7O5B
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BU of 7o5b by Molmil
Cryo-EM structure of a Bacillus subtilis MifM-stalled ribosome-nascent chain complex with (p)ppGpp-SRP bound
Descriptor: 16S rRNA (1533-MER), 23S rRNA (2887-MER), 30S ribosomal protein S10, ...
Authors:Kratzat, H, Czech, L, Berninghausen, O, Bange, G, Beckmann, R.
Deposit date:2021-04-08
Release date:2022-02-02
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Inhibition of SRP-dependent protein secretion by the bacterial alarmone (p)ppGpp.
Nat Commun, 13, 2022
3F0A
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BU of 3f0a by Molmil
Structure of a putative n-acetyltransferase (ta0374) in complex with acetyl-coa from thermoplasma acidophilum
Descriptor: ACETYL COENZYME *A, CHLORIDE ION, N-ACETYLTRANSFERASE, ...
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-10-24
Release date:2008-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
3F2W
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BU of 3f2w by Molmil
Crystal structure of the FMn riboswitch bound to FMN, Ba2+ soak.
Descriptor: BARIUM ION, FLAVIN MONONUCLEOTIDE, FMN riboswitch, ...
Authors:Serganov, A.A, Huang, L.
Deposit date:2008-10-30
Release date:2009-01-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Coenzyme recognition and gene regulation by a flavin mononucleotide riboswitch.
Nature, 458, 2009
3F81
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BU of 3f81 by Molmil
Interaction of VHR with SA3
Descriptor: 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, Dual specificity protein phosphatase 3
Authors:Wu, S, Mutelin, T, Tautz, L.
Deposit date:2008-11-11
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells.
J.Med.Chem., 52, 2009
6BV3
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BU of 6bv3 by Molmil
Crystal structure of porcine aminopeptidase-N with Leucine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Lin, Y.-L, Li, F.
Deposit date:2017-12-12
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Rational Design of Therapeutic Peptides for Aminopeptidase N using a Substrate-Based Approach.
Sci Rep, 7, 2017
3F9G
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BU of 3f9g by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.5
Descriptor: 3C-like proteinase
Authors:Hu, T, Li, L, Jiang, H, Shen, X.
Deposit date:2008-11-13
Release date:2009-09-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
6C32
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BU of 6c32 by Molmil
Mycobacterium smegmatis RimJ with AcCoA
Descriptor: ACETYL COENZYME *A, Acetyltransferase, GNAT family protein
Authors:Favrot, L, Hegde, S.S, Blanchard, J.S.
Deposit date:2018-01-09
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
6BW4
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BU of 6bw4 by Molmil
Crystal structure of RBBP4 in complex with PRDM16 N-terminal peptide
Descriptor: Histone-binding protein RBBP4, PR domain zinc finger protein 16, UNKNOWN ATOM OR ION
Authors:Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-12-14
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
7NSG
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BU of 7nsg by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
Descriptor: (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2021-03-05
Release date:2022-03-16
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
TO BE PUBLISHED
6BWM
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BU of 6bwm by Molmil
Crystal structure of the TRPV2 ion channel
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily V member 2
Authors:Zubcevic, L, Le, S, Yang, H, Lee, S.Y.
Deposit date:2017-12-15
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Conformational plasticity in the selectivity filter of the TRPV2 ion channel.
Nat. Struct. Mol. Biol., 25, 2018
3FCC
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BU of 3fcc by Molmil
CRYSTAL STRUCTURE OF DLTA PROTEIN IN COMPLEX WITH ATP and MAGNESIUM
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-alanine--poly(phosphoribitol) ligase subunit 1, MAGNESIUM ION
Authors:Osman, K.T, Du, L, He, Y, Luo, Y.
Deposit date:2008-11-21
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of Bacillus cereus D-alanyl carrier protein ligase (DltA) in complex with ATP.
J.Mol.Biol., 388, 2009
7NUE
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BU of 7nue by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor EML736
Descriptor: Protein arginine N-methyltransferase 6, methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2021-03-11
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
3FEH
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BU of 3feh by Molmil
Crystal structure of full length centaurin alpha-1
Descriptor: Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION
Authors:Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-11-29
Release date:2008-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1.
Proc.Natl.Acad.Sci.USA, 107, 2010
6C5N
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BU of 6c5n by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
Descriptor: (cyclopentylamino)(oxo)acetic acid, IMIDAZOLE, Ketol-acid reductoisomerase (NADP(+)), ...
Authors:Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McGeary, R.P.
Deposit date:2018-01-16
Release date:2019-01-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductosiomerase (KARI) inhibitor
To Be Published
7NUD
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BU of 7nud by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor EML734
Descriptor: Protein arginine N-methyltransferase 6, methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2021-03-11
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
6C7A
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BU of 6c7a by Molmil
Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M.
Deposit date:2018-01-22
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis
Acs Catalysis, 8, 2018
3FFC
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BU of 3ffc by Molmil
Crystal Structure of CF34 TCR in complex with HLA-B8/FLR
Descriptor: Beta-2-microglobulin, CADMIUM ION, CF34 alpha chain, ...
Authors:Gras, S, Burrows, S.R, Kjer-Nielsen, L, Clements, C.S, Liu, Y.C, Sullivan, L.C, Brooks, A.G, Purcell, A.W, McCluskey, J, Rossjohn, J.
Deposit date:2008-12-03
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The shaping of T cell receptor recognition by self-tolerance.
Immunity, 30, 2009
6C0M
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BU of 6c0m by Molmil
The synthesis, biological evaluation and structural insights of unsaturated 3-N-substituted sialic acids as probes of human parainfluenza virus-3 haemagglutinin-neuraminidase
Descriptor: 1,2-ETHANEDIOL, 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dirr, L, Ve, T, von Itzstein, M.
Deposit date:2018-01-01
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Insights into Human Parainfluenza Virus 3 Hemagglutinin-Neuraminidase Using Unsaturated 3- N-Substituted Sialic Acids as Probes.
ACS Chem. Biol., 13, 2018
7O0Y
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BU of 7o0y by Molmil
ABC transporter NosDFY, nucleotide-free in GDN
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
7O15
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BU of 7o15 by Molmil
ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 2
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
7O16
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BU of 7o16 by Molmil
ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 3
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
6C4O
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BU of 6c4o by Molmil
AMYLOID FORMING PEPTIDE TIAALLS FROM TRANSTHYRETIN
Descriptor: THR-ILE-ALA-ALA-LEU-LEU-SER
Authors:Sievers, S.A, Sawaya, M.R, Saelices, L, Eisenberg, D.S.
Deposit date:2018-01-12
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
7O14
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BU of 7o14 by Molmil
ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 1
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022

221716

数据于2024-06-26公开中

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