8I3J
 
 | | Crystal structure of human inner-arm dynein heavy chain d stalk and microtubule binding domain | | Descriptor: | Dynein axonemal heavy chain 1 | | Authors: | Ko, S, Yu, J, Toda, A, Tanaka, H, Kurisu, G. | | Deposit date: | 2023-01-17 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Crystal structure of the stalk region of axonemal inner-arm dynein-d reveals unique features in the coiled-coil and microtubule-binding domain.
Febs Lett., 597, 2023
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7Q1N
 | | Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | | Deposit date: | 2021-10-20 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
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7PVO
 | | Adenylosuccinate Synthetase from H. pylori in complex with IMP | | Descriptor: | Adenylosuccinate synthetase, INOSINIC ACID, SULFATE ION | | Authors: | Narczyk, M, Bzowska, A, Maksymiuk, W. | | Deposit date: | 2021-10-05 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The pursuit of new alternative ways to eradicate Helicobacter pylori continues: Detailed characterization of interactions in the adenylosuccinate synthetase active site.
Int.J.Biol.Macromol., 226, 2023
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7Q1P
 | | Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | | Deposit date: | 2021-10-20 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
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1OBO
 | | W57L flavodoxin from Anabaena | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION | | Authors: | Romero, A, Ramon, A, Fernandez-Cabrera, C, Irun, M.P, Sancho, J. | | Deposit date: | 2003-01-31 | | Release date: | 2003-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | How Fmn Binds to Anabaena Apoflavodoxin: A Hydrophobic Encounter at an Open Binding Site
J.Biol.Chem., 278, 2003
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5IQY
 | | Structure of apo-Dehydroascorbate Reductase from Pennisetum Glaucum phased by Iodide-SAD method | | Descriptor: | Dehydroascorbate reductase, IODIDE ION | | Authors: | Das, B.K, Kumar, A, Manidola, P, Arockiasamy, A. | | Deposit date: | 2016-03-11 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase
Biochem.Biophys.Res.Commun., 473, 2016
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3KCI
 | | The third RLD domain of HERC2 | | Descriptor: | Probable E3 ubiquitin-protein ligase HERC2 | | Authors: | Walker, J.R, Qiu, L, Vesterberg, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Third RLD Domain of Herc2
To be Published
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1OBV
 | | Y94F flavodoxin from Anabaena | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION | | Authors: | Romero, A, Ramon, A, Fernandez-Cabrera, C, Irun, M.P, Sancho, J. | | Deposit date: | 2003-01-31 | | Release date: | 2003-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | How Fmn Binds to Anabaena Apoflavodoxin: A Hydrophobic Encounter at an Open Binding Site
J.Biol.Chem., 278, 2003
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8BN6
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2022-11-12 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
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6B48
 | | Cryo-EM structure of Type I-F CRISPR crRNA-guided Csy surveillance complex with bound anti-CRISPR protein AcrF10 | | Descriptor: | Anti-CRISPR protein AcrF10, CRISPR-associated endonuclease Cas6/Csy4, CRISPR-associated protein Csy1, ... | | Authors: | Guo, T.W, Bartesaghi, A, Yang, H, Falconieri, V, Rao, P, Merk, A, Fox, T, Earl, L, Patel, D.J, Subramaniam, S. | | Deposit date: | 2017-09-25 | | Release date: | 2017-10-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
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6BBM
 | | Mechanisms of Opening and Closing of the Bacterial Replicative Helicase: The DnaB Helicase and Lambda P Helicase Loader Complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Replication protein P, Replicative DNA helicase | | Authors: | Chase, J, Catalano, A, Noble, A.J, Eng, E.T, Olinares, P.D.B, Molloy, K, Pakotiprapha, D, Samuels, M, Chain, B, des Georges, A, Jeruzalmi, D. | | Deposit date: | 2017-10-18 | | Release date: | 2019-03-06 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Mechanisms of opening and closing of the bacterial replicative helicase.
Elife, 7, 2018
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8BF8
 | | ISDra2 TnpB in complex with reRNA | | Descriptor: | Deinococcus radiodurans R1 chromosome 1, RNA-guided DNA endonuclease TnpB | | Authors: | Sasnauskas, G, Tamulaitiene, G, Carabias, A, Siksnys, V, Montoya, G, Druteika, G, Silanskas, A, Venclovas, C, Karvelis, T, Kazlauskas, D. | | Deposit date: | 2022-10-24 | | Release date: | 2023-04-12 | | Last modified: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | TnpB structure reveals minimal functional core of Cas12 nuclease family.
Nature, 616, 2023
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8IJX
 | | Cryo-EM structure of the gastric proton pump with bound DQ-18 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | | Deposit date: | 2023-02-28 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.08 Å) | | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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8IJW
 | | Cryo-EM structure of the gastric proton pump with bound DQ-06 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | | Deposit date: | 2023-02-28 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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3ZVT
 | | Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein | | Descriptor: | 2,6 DIMETHOXYBENZAMIDOBORONIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ... | | Authors: | Sauvage, E, Zervosen, A, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | | Deposit date: | 2011-07-27 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Unexpected Tricovalent Binding Mode of Boronic Acids within the Active Site of a Penicillin- Binding Protein.
J.Am.Chem.Soc., 133, 2011
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8HYI
 | | Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine | | Descriptor: | 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ... | | Authors: | Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K. | | Deposit date: | 2023-01-06 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Modulation of a conformational ensemble by a small molecule that inhibits key protein-protein interactions involved in cell adhesion.
Protein Sci., 32, 2023
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3K8U
 | | Crystal Structure of the Peptidase Domain of Streptococcus ComA, a Bi-functional ABC Transporter Involved in Quorum Sensing Pathway | | Descriptor: | Putative ABC transporter, ATP-binding protein ComA | | Authors: | Ishii, S, Yano, T, Ebihara, A, Okamoto, A, Manzoku, M, Hayashi, H. | | Deposit date: | 2009-10-14 | | Release date: | 2010-02-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the peptidase domain of Streptococcus ComA, a bifunctional ATP-binding cassette transporter involved in the quorum-sensing pathway
J.Biol.Chem., 285, 2010
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4R6R
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | Descriptor: | 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | Deposit date: | 2014-08-26 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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7Q1O
 | | Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | | Deposit date: | 2021-10-20 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
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6B8W
 | | 1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family Transcriptional Regulator from Enterobacter cloacae. | | Descriptor: | MANGANESE (II) ION, THIOCYANATE ION, XRE family transcriptional regulator | | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, McChesney, C, Grimshaw, S, Sandoval, J, Satchell, K.J.F, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-10-09 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Resolution Crystal Structure of Cupin_2 Domain (pfam 07883) of XRE Family Transcriptional Regulator from Enterobacter cloacae.
To Be Published
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8IJV
 | | Cryo-EM structure of the gastric proton pump with bound DQ-02 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine, ... | | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | | Deposit date: | 2023-02-28 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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4R96
 | | Structure of a Llama Glama Fab 48A2 against human cMet | | Descriptor: | Llama glama Fab 48A2 against human cMet H chain, Llama glama Fab 48A2 against human cMet L chain | | Authors: | Klarenbeek, A, El Mazouari, K, Desmyter, A, Blanchetot, C, Hultberg, A, Roovers, R.C, Cambillau, C, Spinelli, S, Del-Favero, J, Verrips, T, de Haard, H, Achour, I. | | Deposit date: | 2014-09-03 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Camelid Ig V genes reveal significant human homology not seen in therapeutic target genes, providing for a powerful therapeutic antibody platform.
MAbs, 7, 2015
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6AZW
 | | IDO1/FXB-001116 crystal structure | | Descriptor: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lewis, H.A, Lammens, A, Steinbacher, S. | | Deposit date: | 2017-09-13 | | Release date: | 2018-03-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3ZKG
 | | BACE2 MUTANT APO STRUCTURE | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2 | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | Deposit date: | 2013-01-23 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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6MN0
 | | Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H168A mutant in complex with acetyl-CoA | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETYL COENZYME *A, Aminoglycoside N(3)-acetyltransferase, ... | | Authors: | Stogios, P.J, Skarina, T, Zu, X, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
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