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4UX5
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BU of 4ux5 by Molmil
Structure of DNA complex of PCG2
Descriptor: 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1
Authors:Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y.
Deposit date:2014-08-19
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
6NOE
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BU of 6noe by Molmil
Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121E:I63D Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.97 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2019-01-16
Release date:2019-01-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121E:I63D Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.97 Angstrom Resolution
To Be Published
6NI2
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BU of 6ni2 by Molmil
Stabilized beta-arrestin 1-V2T subcomplex of a GPCR-G protein-beta-arrestin mega-complex
Descriptor: Beta-arrestin-1, Fab30 Heavy Chain, Fab30 Light Chain, ...
Authors:Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
6NID
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BU of 6nid by Molmil
Crystal structure of a human calcium/calmodulin dependent serine protein kinase (CASK) PDZ domain in complex with Neurexin-1 peptide
Descriptor: 1,2-ETHANEDIOL, Neurexin-1, Peripheral plasma membrane protein CASK
Authors:Sun, Y.J, Gakhar, L, Fuentes, E.J.
Deposit date:2018-12-27
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:CASK PDZ domain specificity
To be published
6NOS
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BU of 6nos by Molmil
PD-L1 IgV domain V76T with fragment
Descriptor: 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine, Programmed cell death 1 ligand 1
Authors:Zhao, B, Perry, E.
Deposit date:2019-01-16
Release date:2019-02-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
1EOM
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BU of 1eom by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF ENDO-BETA-N-ACETYLGLUCOSAMINIDASE F3 WITH A BIANTENNARY COMPLEX OCTASACCHARIDE
Descriptor: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE F3, SULFATE ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Waddling, C.A, Plummer Jr, T.H, Tarentino, A.L, Van Roey, P.
Deposit date:2000-03-23
Release date:2000-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the substrate specificity of endo-beta-N-acetylglucosaminidase F(3).
Biochemistry, 39, 2000
6NIP
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BU of 6nip by Molmil
Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ1 in complex with ZIKV E glycoprotein
Descriptor: Envelope protein E, MZ1 Heavy chain, MZ1 Light Chain
Authors:Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G.
Deposit date:2018-12-31
Release date:2019-12-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (4.16 Å)
Cite:Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor.
Nat Med, 26, 2020
6NJ8
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BU of 6nj8 by Molmil
Encapsulin iron storage compartment from Quasibacillus thermotolerans
Descriptor: Encapsulating protein for a DyP-type peroxidase, targeting peptide
Authors:Orlando, B.J, Giessen, T.W, Chambers, M.G, Liao, M, Silver, P.A.
Deposit date:2019-01-02
Release date:2019-08-07
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Large protein organelles form a new iron sequestration system with high storage capacity.
Elife, 8, 2019
4V0V
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BU of 4v0v by Molmil
The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-660)
Descriptor: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT, ...
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
6NPO
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BU of 6npo by Molmil
Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain)
Descriptor: Oligopeptide ABC transporter, oligopeptide-binding protein, Unknown peptide ligand, ...
Authors:Michalska, K, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-18
Release date:2019-02-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain)
To Be Published
4URW
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BU of 4urw by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4US6
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BU of 4us6 by Molmil
New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels
Descriptor: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Gavira, J.A, Conejero-Muriel, M, Diaz-Mochon, J.J, Alvarez de Cienfuegos, L.
Deposit date:2014-07-03
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Influence of the Chirality of Short Peptide Supramolecular Hydrogels in Protein Crystallogenesis.
Chem.Commun.(Camb.), 51, 2015
4V3O
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BU of 4v3o by Molmil
Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
Descriptor: ACETATE ION, CALCIUM ION, YIII_M5_AII
Authors:Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
Deposit date:2014-10-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
6NQ2
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BU of 6nq2 by Molmil
Cryo-EM structure of human TPC2 channel in the ligand-bound closed state
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Two pore calcium channel protein 2
Authors:She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y.
Deposit date:2019-01-18
Release date:2019-03-27
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
6NQL
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BU of 6nql by Molmil
Crystal structure of fast switching M159T mutant of fluorescent protein Dronpa (Dronpa2), Y63(3-ClY)
Descriptor: Fluorescent protein Dronpa, TRIETHYLENE GLYCOL
Authors:Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G.
Deposit date:2019-01-21
Release date:2019-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Electrostatic control of photoisomerization pathways in proteins.
Science, 367, 2020
4URN
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BU of 4urn by Molmil
Crystal Structure of Staph ParE 24kDa in complex with Novobiocin
Descriptor: DNA TOPOISOMERASE IV, B SUBUNIT, NOVOBIOCIN
Authors:Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
Deposit date:2014-07-01
Release date:2014-07-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
6NGD
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BU of 6ngd by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3,4-trifluorophenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
6NKO
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BU of 6nko by Molmil
Crystal structure of ForH
Descriptor: ForH
Authors:Zheng, J, Irani, S, Zhang, Y.
Deposit date:2019-01-07
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Identification of the Formycin A Biosynthetic Gene Cluster from Streptomyces kaniharaensis Illustrates the Interplay between Biological Pyrazolopyrimidine Formation and de Novo Purine Biosynthesis.
J. Am. Chem. Soc., 141, 2019
1E6S
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BU of 1e6s by Molmil
MYROSINASE FROM SINAPIS ALBA with bound gluco-hydroximolactam and sulfate
Descriptor: (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Burmeister, W.P.
Deposit date:2000-08-23
Release date:2000-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High Resolution X-Ray Crystallography Shows that Ascorbate is a Cofactor for Myrosinase and Substitutes for the Function of the Catalytic Base
J.Biol.Chem., 275, 2000
4V08
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BU of 4v08 by Molmil
Inhibited dimeric pseudorabies virus protease pUL26N at 2 A resolution
Descriptor: CHLORIDE ION, DIISOPROPYL PHOSPHONATE, MAGNESIUM ION, ...
Authors:Zuehlsdorf, M, Werten, S, Palm, G.J, Hinrichs, W.
Deposit date:2014-09-11
Release date:2015-07-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease
Plos Pathog., 11, 2015
4W2O
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BU of 4w2o by Molmil
Anti-Marburgvirus Nucleoprotein Single Domain Antibody B Complexed with Nucleoprotein C-terminal domain
Descriptor: Anti-Marburgvirus Nucleoprotein Single Domain Antibody B, Nucleoprotein, SULFATE ION
Authors:Taylor, A.B, Garza, J.A.
Deposit date:2017-08-17
Release date:2017-10-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies.
Front Immunol, 8, 2017
6NGR
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BU of 6ngr by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
4W2P
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BU of 4w2p by Molmil
Anti-Marburgvirus Nucleoprotein Single Domain Antibody C
Descriptor: ACETATE ION, Anti-Marburgvirus Nucleoprotein Single Domain Antibody C, SODIUM ION
Authors:Taylor, A.B, Garza, J.A.
Deposit date:2017-08-17
Release date:2017-10-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies.
Front Immunol, 8, 2017
6NH1
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BU of 6nh1 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2018-12-21
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.216 Å)
Cite:Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
4W2Q
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BU of 4w2q by Molmil
Anti-Marburgvirus Nucleoprotein Single Domain Antibody C Complexed with Nucleoprotein C-terminal domain
Descriptor: Anti-Marburgvirus Nucleoprotein Single Domain Antibody C, Nucleoprotein
Authors:Taylor, A.B, Garza, J.A.
Deposit date:2017-08-17
Release date:2017-10-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies.
Front Immunol, 8, 2017

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數據於2025-10-29公開中

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