8OWC
 
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7ARV
 | | TwistTower_native-twist | | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | | Authors: | Kube, M, Kohler, F, Feigl, E, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | | Deposit date: | 2020-10-26 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
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6MAM
 | | Cleaved Ebola GP in complex with a broadly neutralizing human antibody, ADI-15946 | | Descriptor: | ADI-15946 Fab Heavy Chain, ADI-15946 Fab Light Chain, Envelope glycoprotein, ... | | Authors: | West, B.R, Moyer, C.L, Fusco, M.L, Saphire, E.O. | | Deposit date: | 2018-08-28 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structural basis of broad ebolavirus neutralization by a human survivor antibody.
Nat. Struct. Mol. Biol., 26, 2019
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6S0T
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide | | Descriptor: | IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ... | | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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7ARY
 | | Twist-Tower_twist-corrected-variant | | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | | Authors: | Kube, M, Kohler, F, Feigl, E, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | | Deposit date: | 2020-10-26 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.5 Å) | | Cite: | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
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6FA3
 | | Antibody derived (Abd-6) small molecule binding to KRAS. | | Descriptor: | DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2017-12-15 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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6M7X
 | | Structure of human CYP11B1 in complex with fadrozole | | Descriptor: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B1, mitochondrial, ... | | Authors: | Scott, E.E, Brixius-Anderko, S. | | Deposit date: | 2018-08-21 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
J. Biol. Chem., 294, 2019
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8PFC
 | | Crystal structure of binary complex between Aster yellows witches'-broom phytoplasma effector SAP05 and the zinc finger domain of SPL5 from Arabidopsis thaliana | | Descriptor: | Sequence-variable mosaic (SVM) signal sequence domain-containing protein, Squamosa promoter-binding-like protein 5, ZINC ION | | Authors: | Huang, W, Liu, Q, Maqbool, A, Stevenson, C.E.M, Lawson, D.M, Kamoun, S, Hogenhout, S.A. | | Deposit date: | 2023-06-15 | | Release date: | 2023-07-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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1BIO
 | | HUMAN COMPLEMENT FACTOR D IN COMPLEX WITH ISATOIC ANHYDRIDE INHIBITOR | | Descriptor: | COMPLEMENT FACTOR D, GLYCEROL, ISATOIC ANHYDRIDE | | Authors: | Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L. | | Deposit date: | 1998-06-18 | | Release date: | 1999-06-22 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity.
J.Mol.Biol., 282, 1998
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7TBU
 | | Crystal structure of the 5-enolpyruvate-shikimate-3-phosphate synthase (EPSPS) domain of Aro1 from Candida albicans in complex with shikimate-3-phosphate | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-enolpyruvylshikimate-3-phosphate synthase, SHIKIMATE-3-PHOSPHATE | | Authors: | Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-12-22 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular analysis and essentiality of Aro1 shikimate biosynthesis multi-enzyme in Candida albicans.
Life Sci Alliance, 5, 2022
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8FK0
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7TBV
 | | Crystal structure of the shikimate kinase + 3-dehydroquinate dehydratase + 3-dehydroshikimate dehydrogenase domains of Aro1 from Candida albicans | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-12-22 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular analysis and essentiality of Aro1 shikimate biosynthesis multi-enzyme in Candida albicans.
Life Sci Alliance, 5, 2022
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8FWA
 | | Phycocyanin structure from a modular droplet injector for serial femtosecond crystallography | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ... | | Authors: | Botha, S, Doppler, D.L, Sonker, M, Egatz-Gomez, A, Grieco, A, Zaare, S, Jernigan, R, Meza-Aguilar, J.D, Rabbani, M.T, Manna, A, Alvarez, R, Karpos, K, Cruz Villarreal, J, Nelson, G, Ketawala, G.K, Pey, A.L, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Nazari, R, Sierra, R, Hunter, M.S, Batyuk, A, Kupitz, C.J, Sublett, R.E, Lisova, S, Mariani, V, Boutet, S, Fromme, R, Grant, T.D, Fromme, P, Kirian, R.A, Martin-Garcia, J.M, Ros, A. | | Deposit date: | 2023-01-20 | | Release date: | 2023-06-28 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
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8PPZ
 | | Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR | | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, CALCIUM ION, ... | | Authors: | Meyners, C, Deutscher, R.C.E, Hausch, F. | | Deposit date: | 2023-07-10 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Chemrxiv, 2023
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6Y5C
 | | The crystal structure of glycogen phosphorylase in complex with 52 | | Descriptor: | 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form | | Authors: | Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2020-02-25 | | Release date: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
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8FUQ
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5MJ6
 | | Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | | Authors: | Mpakali, A, Stratikos, E, Saridakis, E, Giastas, P. | | Deposit date: | 2016-11-30 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity.
J. Med. Chem., 60, 2017
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5IFS
 | | Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Roske, Y, Arumughan, A, Heinemann, U, Wanker, E. | | Deposit date: | 2016-02-26 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
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6P9S
 | | E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Ma, X, Shia, S, Ornelas, E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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1BEV
 | | BOVINE ENTEROVIRUS VG-5-27 | | Descriptor: | BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4, MYRISTIC ACID, SULFATE ION | | Authors: | Smyth, M, Tate, J, Lyons, C, Hoey, E, Martin, S, Stuart, D. | | Deposit date: | 1996-04-03 | | Release date: | 1998-09-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Implications for viral uncoating from the structure of bovine enterovirus.
Nat.Struct.Biol., 2, 1995
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1BFV
 | | MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI | | Descriptor: | ESTRIOL 3-(B-D-GLUCURONIDE), FV4155, ZINC ION | | Authors: | Trinh, C.H, Phillips, S.E.V. | | Deposit date: | 1997-05-27 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Antibody fragment Fv4155 bound to two closely related steroid hormones: the structural basis of fine specificity.
Structure, 5, 1997
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8Q0E
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6PJX
 | | Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (CaM) | | Descriptor: | CALCIUM ION, Calmodulin, G protein-coupled receptor kinase 5, ... | | Authors: | Bhardwaj, A, Komolov, K.E, Sulon, S, Benovic, J.L. | | Deposit date: | 2019-06-28 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure of a GRK5-Calmodulin Complex Reveals Molecular Mechanism of GRK Activation and Substrate Targeting.
Mol.Cell, 81, 2021
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6EUQ
 | | MdfA(Q131R/L339E) | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACETATE ION, HEXANE, ... | | Authors: | Tam, H.K, Zomot, E, Bibi, E, Pos, K.M. | | Deposit date: | 2017-10-31 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter.
J. Mol. Biol., 430, 2018
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5MNI
 | | Escherichia coli AGPase mutant R130A apo form | | Descriptor: | Glucose-1-phosphate adenylyltransferase | | Authors: | Cifuente, J.O, Comino, N, Marina, A, Orrantia, A, Eguskiza, A, Guerin, M.E. | | Deposit date: | 2016-12-13 | | Release date: | 2017-03-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Mechanistic insights into the allosteric regulation of bacterial ADP-glucose pyrophosphorylases.
J. Biol. Chem., 292, 2017
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