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5F2B
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BU of 5f2b by Molmil
Expanding Nature's Catalytic Repertoire -Directed Evolution of an Artificial Metalloenzyme for In Vivo Metathesis
Descriptor: SULFATE ION, Streptavidin, [1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium
Authors:Heinisch, T, Jeschek, M, Reuter, R, Trindler, C, Panke, S, Ward, T.R.
Deposit date:2015-12-01
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed evolution of artificial metalloenzymes for in vivo metathesis.
Nature, 537, 2016
5F2P
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BU of 5f2p by Molmil
Crystal structure of the BRD9 bromodomain in complex with compound 3.
Descriptor: 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9
Authors:Nar, H, Fiegen, D, Zoephel, A, Bader, G.
Deposit date:2015-12-02
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
8I5J
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BU of 8i5j by Molmil
Crystal structure of chitin oligosaccharide binding protein from Vibrio cholera.
Descriptor: ABC transporter substrate-binding protein, MAGNESIUM ION
Authors:Ohnuma, T, Takeshita, D.
Deposit date:2023-01-25
Release date:2024-01-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Periplasmic chitooligosaccharide-binding protein requires a three-domain organization for substrate translocation.
Sci Rep, 13, 2023
1M9R
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BU of 1m9r by Molmil
human endothelial nitric oxide synthase with 3-Bromo-7-Nitroindazole bound
Descriptor: 3-BROMO-7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ...
Authors:Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2002-07-29
Release date:2002-08-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
8IDR
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BU of 8idr by Molmil
Crystal structure of apo-form of dehydroquinate dehydratase from Corynebacterium glutamicum
Descriptor: 3-dehydroquinate dehydratase, CITRATE ANION, TETRAETHYLENE GLYCOL
Authors:Lee, C.H, Kim, S, Kim, K.-J.
Deposit date:2023-02-14
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Analysis of 3-Dehydroquinate Dehydratase from Corynebacterium glutamicum .
J Microbiol Biotechnol., 33, 2023
8I4E
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BU of 8i4e by Molmil
Omicron spike variant XBB with Bn03
Descriptor: Bn03, Spike glycoprotein
Authors:Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2023-01-19
Release date:2023-12-27
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
1YXV
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BU of 1yxv by Molmil
Crystal Structure of Kinase Pim1 in complex with 3,4-Dihydroxy-1-methylquinolin-2(1H)-one
Descriptor: 3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Kumar, A, Mandiyan, V, Suzuki, Y, Zhang, C, Rice, J, Tsai, J, Artis, D.R, Ibrahim, P, Bremer, R.
Deposit date:2005-02-22
Release date:2005-04-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Proto-oncogene Kinase Pim1: A Target of Aberrant Somatic Hypermutations in Diffuse Large Cell Lymphoma.
J.Mol.Biol., 348, 2005
8I80
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BU of 8i80 by Molmil
Crystal structure of Cph001-D189N
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J.
Deposit date:2023-02-02
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
1MJ1
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BU of 1mj1 by Molmil
FITTING THE TERNARY COMPLEX OF EF-Tu/tRNA/GTP AND RIBOSOMAL PROTEINS INTO A 13 A CRYO-EM MAP OF THE COLI 70S RIBOSOME
Descriptor: Elongation Factor Tu, L11 ribosomal protein, Phe-tRNA, ...
Authors:Stark, H, Rodnina, M.V, Wieden, H.-J, Zemlin, F, Wintermeyer, W, Vanheel, M.
Deposit date:2002-08-26
Release date:2002-11-01
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (13 Å)
Cite:Ribosome Interactions of Aminoacyl-tRNA and Elongation Factor TU in the Codon Recognition Complex
Nat.Struct.Biol., 9, 2002
8IHO
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BU of 8iho by Molmil
Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors
Descriptor: Papain-like protease nsp3, ZINC ION, covalent inhibitor
Authors:Wang, Q, Hu, H, Li, M, Xu, Y.
Deposit date:2023-02-23
Release date:2024-01-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease.
Int J Mol Sci, 24, 2023
8IFG
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BU of 8ifg by Molmil
Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Cph2, ...
Authors:Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D.
Deposit date:2023-02-17
Release date:2024-01-03
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
5F36
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BU of 5f36 by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, J, Caflisch, A.
Deposit date:2015-12-02
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
1YYG
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BU of 1yyg by Molmil
Manganese peroxidase complexed with Cd(II) inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Sundaramoorthy, M, Youngs, H.L, Gold, M.H, Poulos, T.L.
Deposit date:2005-02-24
Release date:2005-05-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes.
Biochemistry, 44, 2005
8I86
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BU of 8i86 by Molmil
Crystal structure of Cph001-D189N in complex with GTP
Descriptor: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-TRIPHOSPHATE, Viomycin kinase
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8ILD
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BU of 8ild by Molmil
The crystal structure of native dGTP:DNApre-I:Pol X substrate ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*GP*AP*TP*CP*CP*T)-3'), MANGANESE (II) ION, ...
Authors:Qin, T, Chen, Y.Q, Gan, J.H, Huang, Z.
Deposit date:2023-03-03
Release date:2024-01-10
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
8ILJ
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BU of 8ilj by Molmil
S-formylglutathione hydrolase (BuSFGH) from Burkholderiaceae sp.
Descriptor: S-formylglutathione hydrolase
Authors:Hwang, J, Lee, J.H, Do, H.
Deposit date:2023-03-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure and functional characterization of an S-formylglutathione hydrolase (BuSFGH) from Burkholderiaceae sp.
Crystals, 13, 2023
5F4O
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BU of 5f4o by Molmil
Protruding domain of GII.17 norovirus Kawasaki308
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, MAGNESIUM ION
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2015-12-03
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural Evolution of the Emerging 2014-2015 GII.17 Noroviruses.
J.Virol., 90, 2015
5F5A
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BU of 5f5a by Molmil
Crystal Structure of human JMJD2D complexed with KDOAM16
Descriptor: 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ...
Authors:Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2015-12-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
8I84
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BU of 8i84 by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIB
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, KBE-DPP-UAL-MYN-DPP-ALA, ...
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I85
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BU of 8i85 by Molmil
Crystal structure of Cph001-D189N in complex with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
Deposit date:2023-02-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
1LZO
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BU of 1lzo by Molmil
Plasmodium Falciparum Triosephosphate Isomerase-Phosphoglycolate Complex
Descriptor: 2-PHOSPHOGLYCOLIC ACID, Triosephosphate Isomerase
Authors:Parthasarathy, S, Balaram, H, Balaram, P, Murthy, M.R.
Deposit date:2002-06-11
Release date:2003-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Plasmodium falciparum triosephosphate isomerase-phosphoglycolate complex in two crystal forms: characterization of catalytic loop open and closed conformations in the ligand-bound state
Biochemistry, 41, 2002
8ILH
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BU of 8ilh by Molmil
The crystal structure of dG(Se-Sp)-DNA:Pol X product binary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE, DNA (5'-D(*CP*GP*GP*AP*TP*CP*C)-3'), MAGNESIUM ION, ...
Authors:Qin, T, Gan, J.H, Huang, Z.
Deposit date:2023-03-03
Release date:2024-01-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
5EXI
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BU of 5exi by Molmil
Crystal structure of M. tuberculosis lipoyl synthase at 2.28 A resolution
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, IRON/SULFUR CLUSTER, Lipoyl synthase
Authors:McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L.
Deposit date:2015-11-23
Release date:2016-08-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystallographic snapshots of sulfur insertion by lipoyl synthase.
Proc.Natl.Acad.Sci.USA, 113, 2016
1M14
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BU of 1m14 by Molmil
Tyrosine Kinase Domain from Epidermal Growth Factor Receptor
Descriptor: Epidermal growth factor receptor
Authors:Stamos, J, Sliwkowski, M.X, Eigenbrot, C.
Deposit date:2002-06-17
Release date:2002-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the epidermal growth factor receptor kinase domain alone and in complex with a 4-anilinoquinazoline inhibitor.
J.Biol.Chem., 277, 2002
5EXQ
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BU of 5exq by Molmil
Human cytochrome c Y48H
Descriptor: Cytochrome c, HEME C, SULFATE ION
Authors:Fellner, M, Jameson, G.N.L, Ledgerwood, E.C, Wilbanks, S.M.
Deposit date:2015-11-24
Release date:2016-11-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Altered structure and dynamics of pathogenic cytochrome c variants correlate with increased apoptotic activity.
Biochem.J., 2021

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数据于2025-10-29公开中

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