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PDB: 40736 results

6ENM
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BU of 6enm by Molmil
Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168.
Descriptor: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Vera, L, Nuti, E, Rossello, A, Stura, E.A.
Deposit date:2017-10-05
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
7BOH
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BU of 7boh by Molmil
Complete Bacterial 30S ribosomal subunit assembly complex state E (+RbfA)(Consensus Refinement)
Descriptor: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
6GVI
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BU of 6gvi by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Descriptor: 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
Deposit date:2018-06-21
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
7B8F
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BU of 7b8f by Molmil
Notum-Fragment 154
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
6OF2
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BU of 6of2 by Molmil
Precursor ribosomal RNA processing complex, State 2.
Descriptor: CLP1_P domain-containing protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Pillon, M.C, Hsu, A.L, Krahn, J.M, Williams, J.G, Goslen, K.H, Sobhany, M, Borgnia, M.J, Stanley, R.E.
Deposit date:2019-03-28
Release date:2019-09-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM reveals active site coordination within a multienzyme pre-rRNA processing complex.
Nat.Struct.Mol.Biol., 26, 2019
5KSR
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BU of 5ksr by Molmil
Stationary phase survival protein E (SurE) from Xylella fastidiosa - XFSurE-TB (Tetramer Bigger).
Descriptor: 5'-nucleotidase SurE, CHLORIDE ION, IODIDE ION, ...
Authors:Machado, A.T.P, Fonseca, E.M.B, Dos Reis, M.A, Saraiva, A.M, Dos Santos, C.A, De Toledo, M.A, Polikarpov, I, De Souza, A.P, De Aparicio, R, Iulek, J.
Deposit date:2016-07-09
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis.
Proteins, 85, 2017
6UDM
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BU of 6udm by Molmil
Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2726
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bart, A.G, Scott, E.E.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.075 Å)
Cite:Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents
Drug Metab.Dispos., 2021
5KW1
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BU of 5kw1 by Molmil
Crystal Structure of the Two Tandem RRM Domains of PUF60 Bound to a Modified AdML Pre-mRNA 3' Splice Site Analogue
Descriptor: CHLORIDE ION, DNA/RNA (30-MER), Poly(U)-binding-splicing factor PUF60
Authors:Crichlow, G.V, Hsiao, H.-H, Albright, R, Lolis, E.J, Braddock, D.T.
Deposit date:2016-07-15
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
6UGF
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BU of 6ugf by Molmil
Katanin hexamer in the ring conformation with resolved protomer one in complex with substrate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Meiotic spindle formation protein mei-1, ...
Authors:Zehr, E.A, Roll-Mecak, A.
Deposit date:2019-09-26
Release date:2019-10-09
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Katanin Grips the beta-Tubulin Tail through an Electropositive Double Spiral to Sever Microtubules.
Dev.Cell, 52, 2020
7B8G
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BU of 7b8g by Molmil
Notum-Fragment 159
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-phenylmethoxyaniline, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jonees, E.Y.
Deposit date:2020-12-12
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7S3F
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BU of 7s3f by Molmil
Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with its inhibitor 1-amino-oxy-3-aminopropane
Descriptor: 3-AMINOOXY-1-AMINOPROPANE, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K.
Deposit date:2021-09-06
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane.
Biochem.J., 478, 2021
7S3G
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BU of 7s3g by Molmil
Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with citrate at the catalytic center
Descriptor: CITRIC ACID, Ornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Zhou, X.E, Suino-Powell, K, Schultz, C.R, Aleiwi, B, Brunzelle, J.S, Lamp, J, Vega, I.E, Ellsworth, E, Bachmann, A.S, Melcher, K.
Deposit date:2021-09-06
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis of binding and inhibition of ornithine decarboxylase by 1-amino-oxy-3-aminopropane.
Biochem.J., 478, 2021
6WDT
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BU of 6wdt by Molmil
Enterovirus D68 in complex with human monoclonal antibody EV68-228
Descriptor: EV68-228 heavy chain, EV68-228 light chain, viral protein 1, ...
Authors:Fu, J, Vogt, M.R, Klose, T, Crowe, J.E, Rossmann, M.G, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-01
Release date:2020-07-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Human antibodies neutralize enterovirus D68 and protect against infection and paralytic disease.
Sci Immunol, 5, 2020
5KSQ
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BU of 5ksq by Molmil
Stationary phase survival protein E (SurE) from Xylella fastidiosa
Descriptor: 5'-nucleotidase SurE, IODIDE ION, MANGANESE (II) ION, ...
Authors:Machado, A.T.P, Fonseca, E.M.B, Dos Reis, M.A, Saraiva, A.M, Dos Santos, C.A, De Toledo, M.A, Polikarpov, I, De Souza, A.P, Aparicio, R, Iulek, J.
Deposit date:2016-07-09
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Conformational variability of the stationary phase survival protein E from Xylella fastidiosa revealed by X-ray crystallography, small-angle X-ray scattering studies, and normal mode analysis.
Proteins, 85, 2017
5KVY
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BU of 5kvy by Molmil
CRYSTAL STRUCTURE OF THE TWO TANDEM RRM DOMAINS OF PUF60 BOUND TO A PORTION OF AN ADML PRE-MRNA 3' SPLICE SITE ANALOG
Descriptor: CHLORIDE ION, DNA (30-MER), Poly(U)-binding-splicing factor PUF60
Authors:Hsiao, H.-H, Crichlow, G.V, Albright, R.A, Murphy, J.W, Lolis, E.J, Braddock, D.T.
Deposit date:2016-07-15
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60.
Plos One, 15, 2020
8EEX
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BU of 8eex by Molmil
Cas7-11 in complex with Csx29
Descriptor: Cas7-11, Csx29, ZINC ION, ...
Authors:Demircioglu, F.E, Wilkinson, M.E, Strecker, J, Li, D, Faure, G, Macrae, R.K, Zhang, F.
Deposit date:2022-09-07
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:RNA-activated protein cleavage with a CRISPR-associated endopeptidase.
Science, 378, 2022
8EEY
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BU of 8eey by Molmil
Cas7-11 in complex with DR-mismatched target RNA, Csx29 and Csx30
Descriptor: Cas7-11, Csx29, Csx30, ...
Authors:Demircioglu, F.E, Wilkinson, M.E, Strecker, J, Li, D, Faure, G, Macrae, R.K, Zhang, F.
Deposit date:2022-09-07
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:RNA-activated protein cleavage with a CRISPR-associated endopeptidase.
Science, 378, 2022
7U2H
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BU of 7u2h by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, and deacylated E-site tRNAgly at 2.55A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
Deposit date:2022-02-24
Release date:2022-07-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
4Y5Q
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BU of 4y5q by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, Calmodulin-domain protein kinase 1, ...
Authors:Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2015-02-11
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with AMP
To Be Published
8B3B
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BU of 8b3b by Molmil
Structure of metacyclic VSG (mVSG) 531 from Trypanosoma brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 531, alpha-D-mannopyranose, ...
Authors:Chandra, M, Stebbins, C.E.
Deposit date:2022-09-16
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
6RZ5
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BU of 6rz5 by Molmil
XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ...
Authors:Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs.
Sci Adv, 5, 2019
2LH7
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BU of 2lh7 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (NITROSOBENZENE), NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
6T21
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BU of 6t21 by Molmil
N-terminal domain of EcoKMcrA restriction endonuclease (NEco) in complex with T5mCGA target sequence
Descriptor: 5-methylcytosine-specific restriction enzyme A, DNA (5'-D(*GP*AP*AP*TP*(5CM)P*GP*AP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*(5CM)P*GP*AP*TP*TP*C)-3')
Authors:Slyvka, A, Zagorskaite, E, Czapinska, H, Sasnauskas, G, Bochtler, M.
Deposit date:2019-10-07
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of the EcoKMcrA N-terminal domain (NEco): recognition of modified cytosine bases without flipping.
Nucleic Acids Res., 47, 2019
6WU6
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BU of 6wu6 by Molmil
succinate-coenzyme Q reductase
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Lyu, M, Su, C.-C, Morgan, C.E, Yu, E.W.
Deposit date:2020-05-04
Release date:2021-02-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
6FNY
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BU of 6fny by Molmil
CRYSTAL STRUCTURE OF A CHOLINE SULFATASE FROM SINORHIZOBIUM MELLILOTI
Descriptor: CALCIUM ION, Choline-sulfatase
Authors:Valkov, E, Van Loo, B, Hollfelder, F, Hyvonen, M.
Deposit date:2018-02-05
Release date:2018-02-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural and Mechanistic Analysis of the Choline Sulfatase from Sinorhizobium melliloti: A Class I Sulfatase Specific for an Alkyl Sulfate Ester.
J. Mol. Biol., 430, 2018

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