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6UIQ
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BU of 6uiq by Molmil
Crystal structure of wild-type human phosphoglucomutase 1 in complex with Glucose-6-Phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, phosphoglucomutase-1
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2019-10-01
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Hotspot for Disease-Associated Variants of Human PGM1 Is Associated with Impaired Ligand Binding and Loop Dynamics.
Structure, 26, 2018
6UFB
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BU of 6ufb by Molmil
Carbonic anhydrase 2 with inhibitor (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide (11a/D1)
Descriptor: (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Peat, T.S.
Deposit date:2019-09-24
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action.
J.Med.Chem., 63, 2020
7CK4
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BU of 7ck4 by Molmil
Structural and functional analysis of small heat shock protein from Synechococcus phage S-ShM2
Descriptor: Heat shock protein
Authors:Biswas, S, Suguna, K.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (7 Å)
Cite:Multiple nanocages of a cyanophage small heat shock protein with icosahedral and octahedral symmetries.
Sci Rep, 11, 2021
6UGZ
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BU of 6ugz by Molmil
Human Carbonic Anhydrase IX-mimic complexed with SB4-208
Descriptor: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.306 Å)
Cite:"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UHL
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BU of 6uhl by Molmil
Crystal Structure of C148 mGFP-scDNA-1
Descriptor: C148 mGFP-scDNA-1, UNKNOWN LIGAND
Authors:Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
Deposit date:2019-09-27
Release date:2020-03-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
6UHT
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BU of 6uht by Molmil
Crystal structure of BoNT/B receptor-binding domain in complex with VHH JLI-G10
Descriptor: Botulinum neurotoxin type B, JLI-G10
Authors:Lam, K, Jin, R.
Deposit date:2019-09-28
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.20001459 Å)
Cite:Structural Insights into Rational Design of Single-Domain Antibody-Based Antitoxins against Botulinum Neurotoxins
Cell Rep, 30, 2020
6UIJ
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BU of 6uij by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with S-{5-[(3-aminopropyl)amino]pentyl} thioacetate
Descriptor: 5-[(3-aminopropyl)amino]pentane-1-thiol, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2019-10-01
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UNW
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BU of 6unw by Molmil
Epoxide hydrolase from an endophytic Streptomyces
Descriptor: CACODYLATE ION, CHLORIDE ION, Soluble epoxide hydrolase
Authors:Wilson, C, dos Santos, J.C, Dias, M.V.B.
Deposit date:2019-10-13
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity.
Acta Crystallogr D Struct Biol, 76, 2020
7CLU
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BU of 7clu by Molmil
PigF with SAH
Descriptor: ACETATE ION, GLYCEROL, Methyltransferase domain-containing protein
Authors:Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
Deposit date:2020-07-22
Release date:2021-07-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022
6UKE
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BU of 6uke by Molmil
HhaI endonuclease in Complex with Iodine-Labelled DNA
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2019-10-04
Release date:2019-12-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
6TZT
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BU of 6tzt by Molmil
Crystal structure of human alpha/epsilon-COP of the COPI vesicular coat bound to alpha-COP STM2
Descriptor: Coatomer subunit alpha, Coatomer subunit epsilon
Authors:Travis, S.M, Hughson, F.M.
Deposit date:2019-08-13
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.065 Å)
Cite:Roles of singleton tryptophan motifs in COPI coat stability and vesicle tethering.
Proc.Natl.Acad.Sci.USA, 116, 2019
6U07
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BU of 6u07 by Molmil
Computational Stabilization of T Cell Receptor Constant Domains
Descriptor: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta)
Authors:Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J.
Deposit date:2019-08-13
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
6ULP
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BU of 6ulp by Molmil
BRD3-BD2 in complex with the cyclic peptide 3.2_3
Descriptor: Bromodomain-containing protein 3, Cyclic peptide 3.2_3
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-10-08
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
7CMJ
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BU of 7cmj by Molmil
Crystal structure of L.donovani Hypoxanthine-guanine phosphoribosyl transferase (HGPRT)
Descriptor: BARIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Parihar, P.S, Pratap, J.V.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:The L.donovani Hypoxanthine-guanine phosphoribosyl transferase (HGPRT) oligomer is distinct from the human homolog.
Biochem.Biophys.Res.Commun., 532, 2020
6U1I
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BU of 6u1i by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ...
Authors:Pederick, J.L, Bruning, J.B, Thompson, A.P.
Deposit date:2019-08-15
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
7COQ
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BU of 7coq by Molmil
Hexameric Ring Complex of Engineered V1-ATPase bound to AMP-PNP: A3(De)3_(ANP)1cat
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, V-type sodium ATPase catalytic subunit A, ...
Authors:Kosugi, T, Tanabe, M, Koga, N.
Deposit date:2020-08-05
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:De Novo Design of Allosteric Control into Rotary Motor V1-ATPase by Restoring Lost Function
To Be Published
7COW
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BU of 7cow by Molmil
353 bp di-nucleosome harboring cohesive DNA termini with linker histone H1.0
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (353-MER), ...
Authors:Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A.
Deposit date:2020-08-05
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
6U3Z
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BU of 6u3z by Molmil
Structure of VD20_5A4 Fab
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Dionne, G, Shapiro, L.
Deposit date:2019-08-22
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99002314 Å)
Cite:Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6U8D
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BU of 6u8d by Molmil
Crystal structure of hepatitis C virus IRES junction IIIabc in complex with Fab HCV2
Descriptor: Heavy chain of Fab HCV2, JIIIabc RNA (68-MER), Light chain of Fab HCV2
Authors:Koirala, D, Lewicka, A, Koldobskaya, Y, Huang, H, Piccirilli, J.A.
Deposit date:2019-09-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Synthetic Antibody Binding to a Preorganized RNA Domain of Hepatitis C Virus Internal Ribosome Entry Site Inhibits Translation.
Acs Chem.Biol., 15, 2020
7CB8
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BU of 7cb8 by Molmil
Structure of a FIC-domain protein from Mycobacterium marinum in complex with CDP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CYTIDINE-5'-DIPHOSPHATE, ...
Authors:Kumar, S, Singh, A, Penmatsa, A, Surolia, A.
Deposit date:2020-06-11
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of of a FIC-domain protein from Mycobacterium marinum
To Be Published
7CSM
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BU of 7csm by Molmil
Crystal structure of Sulfurisphaera tokodaii O6-methylguanine methyltransferase C120S variant
Descriptor: Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION
Authors:Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsunoda, M.
Deposit date:2020-08-15
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase.
Acta Crystallogr.,Sect.F, 77, 2021
6U74
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BU of 6u74 by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_2
Descriptor: Bromodomain-containing protein 4, cyclic peptide 3.1_2
Authors:Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
Deposit date:2019-08-31
Release date:2020-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UBH
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BU of 6ubh by Molmil
Structure of the MM7 Erbin PDZ variant in complex with a high-affinity peptide
Descriptor: Erbin, SODIUM ION, peptide
Authors:Singer, A.U, Teyra, J, McLaughlin, M, Ernst, A, Sicheri, F, Sidhu, S.S.
Deposit date:2019-09-11
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comprehensive Assessment of the Relationship Between Site -2 Specificity and Helix alpha 2 in the Erbin PDZ Domain.
J.Mol.Biol., 433, 2021
6U7I
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BU of 6u7i by Molmil
Faecalibacterium prausnitzii Beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-09-03
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens.
J.Biol.Chem., 294, 2019
6UCC
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BU of 6ucc by Molmil
Structure of human PACRG-MEIG1 complex (limited proteolysis)
Descriptor: DI(HYDROXYETHYL)ETHER, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ...
Authors:Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F.
Deposit date:2019-09-16
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019

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数据于2024-08-28公开中

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