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PDB: 52161 results

3ZRK
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BU of 3zrk by Molmil
Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors
Descriptor: 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
Authors:Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M.
Deposit date:2011-06-16
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3ZSM
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BU of 3zsm by Molmil
Crystal structure of Apo Human Galectin-3 CRD at 1.25 angstrom resolution, at room temperature
Descriptor: GALECTIN-3
Authors:Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T.
Deposit date:2011-06-28
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
3ZTP
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BU of 3ztp by Molmil
Orthorhombic crystal form P21212 of the Aquifex aeolicus nucleoside diphosphate kinase
Descriptor: GLYCEROL, NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION
Authors:Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
Deposit date:2011-07-12
Release date:2012-03-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:An Intersubunit Disulfide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus.
Proteins, 80, 2012
6LM0
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BU of 6lm0 by Molmil
The crystal structure of cyanorhodopsin (CyR) N2098R from cyanobacteria Calothrix sp. NIES-2098
Descriptor: DECANE, HEXANE, N-OCTANE, ...
Authors:Hosaka, T, Kimura-Someya, T, Shirouzu, M.
Deposit date:2019-12-24
Release date:2020-10-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A unique clade of light-driven proton-pumping rhodopsins evolved in the cyanobacterial lineage.
Sci Rep, 10, 2020
6TWT
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BU of 6twt by Molmil
Crystal structure of N-terminally truncated NDM-1 metallo-beta-lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Imiolczyk, B, Czyrko-Horczak, J, Brzezinski, K, Jaskolski, M.
Deposit date:2020-01-13
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Int.J.Biol.Macromol., 158, 2020
3ZFQ
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BU of 3zfq by Molmil
Crystal structure of product-like, processed N-terminal protease Npro with mercury
Descriptor: MERCURY (II) ION, MONOTHIOGLYCEROL, N-TERMINAL PROTEASE NPRO
Authors:Zogg, T, Sponring, M, Schindler, S, Koll, M, Schneider, R, Brandstetter, H, Auer, B.
Deposit date:2012-12-12
Release date:2013-05-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
2A39
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BU of 2a39 by Molmil
HUMICOLA INSOLENS ENDOCELLULASE EGI NATIVE STRUCTURE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I
Authors:Davies, G.J, Sulzenbacher, G, Mackenzie, L, Withers, S.G, Divne, C, Jones, T.A, Woldike, H.F, Schulein, M.
Deposit date:1998-01-30
Release date:1999-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate.
Biochem.J., 335, 1998
3ZQO
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BU of 3zqo by Molmil
Crystal structure of the small terminase oligomerization core domain from a SPP1-like bacteriophage (crystal form 3)
Descriptor: POTASSIUM ION, TERMINASE SMALL SUBUNIT
Authors:Buttner, C.R, Chechik, M, Ortiz-Lombardia, M, Smits, C, Chechik, V, Jeschke, G, Dykeman, E, Benini, S, Alonso, J.C, Antson, A.A.
Deposit date:2011-06-10
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Basis for DNA Recognition and Loading Into a Viral Packaging Motor.
Proc.Natl.Acad.Sci.USA, 109, 2012
6UCM
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BU of 6ucm by Molmil
Transcription factor DeltaFosB bZIP domain self-assembly, type-II crystal
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Protein fosB
Authors:Yin, Z, Machius, M, Rudenko, G.
Deposit date:2019-09-16
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Self-assembly of the bZIP transcription factor Delta FosB.
Curr Res Struct Biol, 2, 2020
3ZTQ
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BU of 3ztq by Molmil
Hexagonal crystal form P61 of the Aquifex aeolicus nucleoside diphosphate kinase
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A.
Deposit date:2011-07-12
Release date:2012-02-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus
Proteins, 80, 2012
6LKG
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BU of 6lkg by Molmil
two-component system protein mediate signal transduction
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ABC transporter, solute-binding protein, ...
Authors:Wang, M, Tao, Y.
Deposit date:2019-12-19
Release date:2020-12-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Interface switch mediates signal transmission in a two-component system.
Proc.Natl.Acad.Sci.USA, 117, 2020
3ZWZ
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BU of 3zwz by Molmil
Crystal structure of Plasmodium falciparum AMA1 in complex with a 39aa PfRON2 peptide
Descriptor: APICAL MEMBRANE ANTIGEN 1, AMA1, GLYCEROL, ...
Authors:Vulliez-Le Normand, B, Tonkin, M.L, Lamarque, M.H, Langer, S, Hoos, S, Roques, M, Saul, F.A, Faber, B.W, Bentley, G.A, Boulanger, M.J, Lebrun, M.
Deposit date:2011-08-03
Release date:2012-07-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Functional Insight Into the Malaria Parasite Moving Junction Complex
Plos Pathog., 8, 2012
6LW5
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BU of 6lw5 by Molmil
Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm
Descriptor: CHOLESTEROL, Soluble cytochrome b562,N-formyl peptide receptor 2, TRP-LYS-TYR-MET-VAL-QXV
Authors:Chen, T, Zong, X, Zhang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2020-02-07
Release date:2020-03-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand binding modes at the human formyl peptide receptor 2.
Nat Commun, 11, 2020
3ZQP
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BU of 3zqp by Molmil
Crystal structure of the small terminase oligomerization domain from a SPP1-like bacteriophage
Descriptor: TERMINASE SMALL SUBUNIT
Authors:Buttner, C.R, Chechik, M, Ortiz-Lombardia, M, Smits, C, Chechik, V, Jeschke, G, Dykeman, E, Benini, S, Alonso, J.C, Antson, A.A.
Deposit date:2011-06-10
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for DNA Recognition and Loading Into a Viral Packaging Motor.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZRL
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BU of 3zrl by Molmil
Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors
Descriptor: 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
Authors:Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M.
Deposit date:2011-06-17
Release date:2011-06-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
1HI3
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BU of 1hi3 by Molmil
Eosinophil-derived Neurotoxin (EDN) - Adenosine 2'-5'-Diphosphate Complex
Descriptor: ADENOSINE-2'-5'-DIPHOSPHATE, EOSINOPHIL-DERIVED NEUROTOXIN
Authors:Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R.
Deposit date:2001-01-02
Release date:2001-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors
J.Biol.Chem., 276, 2001
2Q8V
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BU of 2q8v by Molmil
NblA protein from T. vulcanus crystallized with urea
Descriptor: NblA protein, UREA
Authors:Adir, N, Dines, M.
Deposit date:2007-06-12
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural, Functional, and Mutational Analysis of the NblA Protein Provides Insight into Possible Modes of Interaction with the Phycobilisome
J.Biol.Chem., 283, 2008
7XAD
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BU of 7xad by Molmil
Crystal strucutre of PD-L1 and DBL2_02 designed protein binder
Descriptor: DBL2_02 binder, Programmed cell death 1 ligand 1
Authors:Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G.
Deposit date:2022-03-17
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
3ZQQ
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BU of 3zqq by Molmil
Crystal structure of the full-length small terminase from a SPP1-like bacteriophage
Descriptor: TERMINASE SMALL SUBUNIT
Authors:Buttner, C.R, Chechik, M, Ortiz-Lombardia, M, Smits, C, Chechik, V, Jeschke, G, Dykeman, E, Benini, S, Alonso, J.C, Antson, A.A.
Deposit date:2011-06-10
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural Basis for DNA Recognition and Loading Into a Viral Packaging Motor.
Proc.Natl.Acad.Sci.USA, 109, 2012
1ZRT
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BU of 1zrt by Molmil
Rhodobacter capsulatus cytochrome bc1 complex with stigmatellin bound
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Cytochrome b, Cytochrome c1, ...
Authors:Berry, E.A, Huang, L.S, Saechao, L.K, Pon, N.G, Valkova-Valchanov, M, Daldal, F.
Deposit date:2005-05-22
Release date:2005-06-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:X-Ray Structure of Rhodobacter Capsulatus Cytochrome bc (1): Comparison with its Mitochondrial and Chloroplast Counterparts.
Photosynth.Res., 81, 2004
8E1A
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BU of 8e1a by Molmil
Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors
Descriptor: 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor
Authors:Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A.
Deposit date:2022-08-10
Release date:2022-09-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
6LUT
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BU of 6lut by Molmil
Crystal structure of Serine Racemase from Dictyostelium discoideum.
Descriptor: Probable serine racemase
Authors:Goto, M, Mizobuchi, T, Yoshimura, T.
Deposit date:2020-01-31
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanism of eukaryotic serine racemase-catalyzed serine dehydration.
Biochim Biophys Acta Proteins Proteom, 1868, 2020
3ZFN
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BU of 3zfn by Molmil
Crystal structure of product-like, processed N-terminal protease Npro
Descriptor: CHLORIDE ION, MONOTHIOGLYCEROL, N-TERMINAL PROTEASE NPRO
Authors:Zogg, T, Sponring, M, Schindler, S, Koll, M, Schneider, R, Brandstetter, H, Auer, B.
Deposit date:2012-12-12
Release date:2013-05-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis
Structure, 21, 2013
3ZCO
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BU of 3zco by Molmil
Crystal structure of S. cerevisiae Sir3 C-terminal domain
Descriptor: REGULATORY PROTEIN SIR3
Authors:Oppikofer, M, Kueng, S, Keusch, J.J, Hassler, M, Ladurner, A.G, Gut, H, Gasser, S.M.
Deposit date:2012-11-21
Release date:2013-04-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dimerization of Sir3 Via its C-Terminal Winged Helix Domain is Essential for Yeast Heterochromatin Formation.
Embo J., 32, 2013
6U5E
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BU of 6u5e by Molmil
RT XFEL structure of CypA solved using celloluse carrier media
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Wolff, A.M, Nango, E, Nakane, T, Young, I.D, Brewster, A.S, Sugahara, M, Tanaka, R, Sauter, N.K, Tono, K, Iwata, S, Fraser, J.S, Thompson, M.C.
Deposit date:2019-08-27
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals
Iucrj, 7, 2020

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