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PDB: 53326 results

7EDG
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BU of 7edg by Molmil
Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), one RBD-up conformation 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D.
Deposit date:2021-03-16
Release date:2021-09-01
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function.
Nat.Struct.Mol.Biol., 28, 2021
6RHW
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BU of 6rhw by Molmil
Crystal structure of human CD11b I-domain (CD11b-I) in complex with Staphylococcus aureus octameric bi-component leukocidin LukGH
Descriptor: Beta-channel forming cytolysin, DIMETHYL SULFOXIDE, Integrin alpha-M, ...
Authors:Trstenjak, N, Milic, D, Djinovic-Carugo, K, Badarau, A.
Deposit date:2019-04-23
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular mechanism of leukocidin GH-integrin CD11b/CD18 recognition and species specificity.
Proc.Natl.Acad.Sci.USA, 117, 2020
8JCS
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BU of 8jcs by Molmil
Crystal structure of Procerain-B from Calotropis gigantea
Descriptor: Procerain B
Authors:Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D.
Deposit date:2023-05-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of Procerain-B from Calotropis gigantea
To Be Published
8E5W
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BU of 8e5w by Molmil
Crystal structure of dehydroalanine Hip1
Descriptor: DI(HYDROXYETHYL)ETHER, PALMITIC ACID, Protease, ...
Authors:Goldfarb, N.E, Brooks, C.L, Ostrov, D.A.
Deposit date:2022-08-22
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 2022
6I1E
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BU of 6i1e by Molmil
Crystal structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 in complex with amoxicillin
Descriptor: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2018-10-28
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
7AYP
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BU of 7ayp by Molmil
Structure of a GH11 domain refined from the X-ray diffraction data of a GH11-CBM36-1 crystal.
Descriptor: Endo-1,4-beta-xylanase
Authors:Anye, V, Schubert, W.D.
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.70001292 Å)
Cite:Structural and biophysical characterization of the multidomain xylanase Xyl.
Plos One, 17, 2022
6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-08
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
4XVZ
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BU of 4xvz by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with Mg
Descriptor: CHLORIDE ION, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase
Authors:Akey, D.L, Smith, J.L.
Deposit date:2015-01-28
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
6UPH
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BU of 6uph by Molmil
Structure of a Yeast Centromeric Nucleosome at 2.7 Angstrom resolution
Descriptor: DNA (119-MER), Histone H2A, Histone H2B.1, ...
Authors:Migl, D, Kschonsak, M, Arthur, C.P, Khin, Y, Harrison, S.C, Ciferri, C, Dimitrova, Y.N.
Deposit date:2019-10-17
Release date:2019-11-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryoelectron Microscopy Structure of a Yeast Centromeric Nucleosome at 2.7 angstrom Resolution.
Structure, 28, 2020
5TQZ
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BU of 5tqz by Molmil
Frutapin complexed with alpha-D-glucose
Descriptor: Frutapin, alpha-D-glucopyranose
Authors:Sousa, F.D, Guo, J, Coker, A.R, Monteiro-Moreira, A.C.O, Moreira, R.A.
Deposit date:2016-10-25
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Frutapin, a lectin fromArtocarpus incisa(breadfruit): cloning, expression and molecular insights.
Biosci. Rep., 37, 2017
6I3M
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BU of 6i3m by Molmil
eIF2B:eIF2 complex, phosphorylated on eIF2 alpha serine 52.
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
Authors:Adomavicius, T, Roseman, A.M, Pavitt, G.D.
Deposit date:2018-11-06
Release date:2019-05-22
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:The structural basis of translational control by eIF2 phosphorylation.
Nat Commun, 10, 2019
5XAC
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BU of 5xac by Molmil
CLIR - LC3B
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B
Authors:Kwon, D.H, Kim, L, Song, H.K.
Deposit date:2017-03-12
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:A novel conformation of the LC3-interacting region motif revealed by the structure of a complex between LC3B and RavZ
Biochem. Biophys. Res. Commun., 490, 2017
8E4Y
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BU of 8e4y by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ...
Authors:Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
7JN3
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BU of 7jn3 by Molmil
Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048
Descriptor: (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ...
Authors:Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P.
Deposit date:2020-08-03
Release date:2021-03-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome.
Commun Biol, 4, 2021
7AP4
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BU of 7ap4 by Molmil
Thermus thermophilus Aspartyl-tRNA Synthetase in Complex with Compound AspS7HMDDA
Descriptor: (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid, Aspartate--tRNA(Asp) ligase
Authors:De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2020-10-15
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
8E50
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BU of 8e50 by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ...
Authors:Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H.
Deposit date:2022-08-19
Release date:2022-12-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
6RRX
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BU of 6rrx by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol
Descriptor: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6UON
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BU of 6uon by Molmil
Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation
Descriptor: Beta-2-microglobulin, GLY-ALA-ASP-GLY-VAL-GLY-LYS-SER-ALA-LEU, HLA class I antigen, ...
Authors:Sun, P.D, Sim, M.J.W.
Deposit date:2019-10-15
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:High-affinity oligoclonal TCRs define effective adoptive T cell therapy targeting mutant KRAS-G12D.
Proc.Natl.Acad.Sci.USA, 117, 2020
2XEG
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BU of 2xeg by Molmil
Human glutamate carboxypeptidase II in complex with Antibody- Recruiting Molecule ARM-P4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhang, A.X, Murelli, R.P, Barinka, C, Michel, J, Cocleaza, A, Jorgensen, W.L, Lubkowski, J, Spiegel, D.A.
Deposit date:2010-05-14
Release date:2010-09-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules.
J.Am.Chem.Soc., 132, 2010
6RRU
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BU of 6rru by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (5R,6R,7S,8S)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-3-(3-phenylpropyl)imidazo[1,2-a]pyridine-6,7,8-triol
Descriptor: (5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol, Alpha-mannosidase 2, ZINC ION
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
2XEJ
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BU of 2xej by Molmil
Human glutamate carboxypeptidase II in complex with ARM-M4, urea- based inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhang, A.X, Murelli, R, Barinka, C, Michel, J, Cocleaza, A, Jorgensen, W.L, Lubkowski, J, Spiegel, D.A.
Deposit date:2010-05-14
Release date:2010-09-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Remote Arene-Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules.
J.Am.Chem.Soc., 132, 2010
6RTU
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BU of 6rtu by Molmil
Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus complexed with alpha-aminoadipic acid
Descriptor: 2-AMINOHEXANEDIOIC ACID, ACETATE ION, GLYCEROL, ...
Authors:Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I.
Deposit date:2019-05-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
3PFZ
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BU of 3pfz by Molmil
Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ...
Authors:Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L.
Deposit date:2010-10-29
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.0993 Å)
Cite:Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose
TO BE PUBLISHED
6ED9
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BU of 6ed9 by Molmil
NMR structure for Sp1 transcription factor duplex 5'-d(TGGGCGGGA)
Descriptor: DNA (5'-D(*TP*CP*CP*CP*GP*CP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*GP*CP*GP*GP*GP*A)-3')
Authors:Davis, E.V, Hennig, M, Arya, D.P.
Deposit date:2018-08-09
Release date:2019-08-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An NMR Structure Determination and Analysis of Four Sp1 Consensus Sequences
To Be Published
8DQU
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BU of 8dqu by Molmil
Nanobody bound SARS-CoV-2 Nsp9
Descriptor: Nanobody, Non-structural protein 9
Authors:Littler, D.R, Gully, B.S, Rossjohn, J.
Deposit date:2022-07-20
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45003176 Å)
Cite:Inside-out: Antibody-binding reveals potential folding hinge-points within the SARS-CoV-2 replication co-factor nsp9.
Plos One, 18, 2023

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PDB entries from 2024-09-11

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