5K32
 
 | | PDE4D crystal structure in complex with small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ... | | Authors: | Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J. | | Deposit date: | 2016-05-19 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 61, 2018
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7S7L
 | | Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/M66S/E67Y/L133N/S155L) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Coban, M, Raeeszadeh-Sarmazdeh, M, Hockla, A, Sankaran, B, Radisky, E.S. | | Deposit date: | 2021-09-16 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Engineering of tissue inhibitor of metalloproteinases TIMP-1 for fine discrimination between closely related stromelysins MMP-3 and MMP-10.
J.Biol.Chem., 298, 2022
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7SA9
 | | Human MUC16 SEA5 Domain | | Descriptor: | Mucin-16 | | Authors: | Brooks, C.L, White, B. | | Deposit date: | 2021-09-22 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of a human MUC16 SEA domain reveals insight into the nature of the CA125 tumor marker.
Proteins, 90, 2022
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6OI9
 | | Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine | | Descriptor: | 1,2-ETHANEDIOL, 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase | | Authors: | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
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6XUV
 | | Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, laminaribiose-bound form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Vallone, B, Sciara, G. | | Deposit date: | 2020-01-21 | | Release date: | 2021-02-03 | | Last modified: | 2021-08-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
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6OIR
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62 | | Descriptor: | 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-03 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
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7OR0
 | | Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 2 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Grieben, M, Pike, A.C.W, Saward, B.G, Wang, D, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Schofield, C.J, Carpenter, E.P. | | Deposit date: | 2021-06-04 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60
To Be Published
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4W4Z
 | | Structure of the EphA4 LBD in complex with peptide | | Descriptor: | APY-bAla8.am peptide, Ephrin type-A receptor 4, GLYCEROL, ... | | Authors: | Lechtenberg, B.C, Mace, P.D, Riedl, S.J. | | Deposit date: | 2014-08-15 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor.
Acs Chem.Biol., 9, 2014
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6X9T
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7SEU
 | | Crystal structure of E coli contaminant protein YncE co-purified with a plant protein | | Descriptor: | PQQ-dependent catabolism-associated beta-propeller protein | | Authors: | Chai, L, Zhu, P, Chai, J, Pang, C, Andi, B, McsWeeney, S, Shanklin, J, Liu, Q. | | Deposit date: | 2021-10-01 | | Release date: | 2022-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | AlphaFold Protein Structure Database for Sequence-Independent Molecular Replacement
Crystals, 11, 2021
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6OMR
 | | Crystal structure of PtmU3 complexed with PTN substrate | | Descriptor: | ACETATE ION, MANGANESE (II) ION, PtmU3, ... | | Authors: | Liu, Y.C, Dong, L.B, Shen, B. | | Deposit date: | 2019-04-19 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
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6O8C
 | | Crystal structure of STING CTT in complex with TBK1 | | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | Authors: | Li, P, Zhao, B, Du, F. | | Deposit date: | 2019-03-09 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
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6UDK
 | | HIV-1 bNAb 1-55 in complex with modified BG505 SOSIP-based immunogen RC1 and 10-1074 | | Descriptor: | 1-55 Fab Heavy Chain, 1-55 Fab Light Chain, 10-1074 Fab Heavy Chain, ... | | Authors: | Abernathy, M.E, Barnes, C.O, Gristick, H.B, Bjorkman, P.J. | | Deposit date: | 2019-09-19 | | Release date: | 2020-01-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Restriction of HIV-1 Escape by a Highly Broad and Potent Neutralizing Antibody.
Cell, 180, 2020
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5HUQ
 | | A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase | | Descriptor: | 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, Lactate racemization operon protein LarA, NICKEL (II) ION, ... | | Authors: | Desguin, B, Zhang, T, Soumillion, P, Hols, P, Hu, J, Hausinger, R.P. | | Deposit date: | 2016-01-27 | | Release date: | 2016-02-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | METALLOPROTEINS. A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase.
Science, 349, 2015
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6UDJ
 | | HIV-1 bNAb 1-18 in complex with BG505 SOSIP.664 and 10-1074 | | Descriptor: | 1-18 Fab Heavy Chain, 1-18 Fab Light Chain, 10-1074 Fab Heavy Chain, ... | | Authors: | Abernathy, M.E, Barnes, C.O, Gristick, H.B, Bjorkman, P.J. | | Deposit date: | 2019-09-19 | | Release date: | 2020-01-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Restriction of HIV-1 Escape by a Highly Broad and Potent Neutralizing Antibody.
Cell, 180, 2020
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6ZZW
 | | Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) and CAS No 912569-62-1 | | Descriptor: | Lectin, SODIUM ION, [3-(2-methylimidazol-1-yl)phenyl]methanamine, ... | | Authors: | Lal, K, Bermeo, R, Imberty, A, Varrot, A. | | Deposit date: | 2020-08-05 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia cenocepacia*.
Chemistry, 27, 2021
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7SCX
 | | KRAS full-length G12V in complex with RGL1 Ras association domain | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | Authors: | Eves, B.J, Kuntz, D.A, Ikura, M, Marshall, C.B. | | Deposit date: | 2021-09-29 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structures of RGL1 RAS-Association Domain in Complex with KRAS and the Oncogenic G12V Mutant.
J.Mol.Biol., 434, 2022
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7S69
 | | N-acetylglucosamine-1-phosphotransferase (GNPT) gamma subunit (GNPTG), from clawed frog | | Descriptor: | CHLORIDE ION, N-acetylglucosamine-1-phosphotransferase gamma subunit, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structures of the mannose-6-phosphate pathway enzyme, GlcNAc-1-phosphotransferase.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6ORH
 | | Crystal structure of SpGH29 | | Descriptor: | 1,2-ETHANEDIOL, Glycoside hydrolase, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2019-04-30 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
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5HAP
 | | OXA-48 beta-lactamase - S70A mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2015-12-30 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
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5HZB
 | | Crystal structure of GII.10 P domain in complex with 2-fucosyllactose (2'FL) | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Hansman, G.S, Koromyslova, A.D, Singh, B.K.S. | | Deposit date: | 2016-02-02 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides.
J.Virol., 90, 2016
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6XF9
 | | Crystal structure of KSHV ORF68 | | Descriptor: | Packaging protein UL32, ZINC ION | | Authors: | Didychuk, A.L, Gates, S.N, Martin, A, Glaunsinger, B. | | Deposit date: | 2020-06-15 | | Release date: | 2021-02-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | A pentameric protein ring with novel architecture is required for herpesviral packaging.
Elife, 10, 2021
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4URF
 | | Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1 | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, BICARBONATE ION, ... | | Authors: | Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R. | | Deposit date: | 2014-06-28 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
J.Mol.Microbiol.Biotechnol., 25, 2015
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6O8B
 | | Crystal structure of STING CTD in complex with TBK1 | | Descriptor: | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | Authors: | Li, P, Zhao, B, Du, F. | | Deposit date: | 2019-03-09 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
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6OFB
 | | Crystal structure of human glutamine-dependent NAD+ synthetase complexed with NaAD+, AMP, pyrophosphate, and Mg2+ | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Glutamine-dependent NAD(+) synthetase, ... | | Authors: | Chuenchor, W, Doukov, T.I, Gerratana, B. | | Deposit date: | 2019-03-28 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Different ways to transport ammonia in human and Mycobacterium tuberculosis NAD+synthetases.
Nat Commun, 11, 2020
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