8DAM
 
 | | nbF3:nbE8:CaV beta subunit 1b complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody E8, SULFATE ION, ... | | Authors: | Nirwan, N, Minor, D.L. | | Deposit date: | 2022-06-13 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective posttranslational inhibition of Ca V beta 1 -associated voltage-dependent calcium channels with a functionalized nanobody.
Nat Commun, 13, 2022
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7MKK
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5NJE
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. | | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-03-28 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation.
Sci Rep, 9, 2019
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6FJ5
 | | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-AGG-HG) | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA, ... | | Authors: | Golovenko, D, Rozenberg, H, Shakked, Z. | | Deposit date: | 2018-01-20 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
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5NEV
 | | CDK2/Cyclin A in complex with compound 73 | | Descriptor: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | | Deposit date: | 2017-03-12 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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5NM2
 | | A2A Adenosine receptor cryo structure | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J. | | Deposit date: | 2017-04-05 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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8FU3
 | | Structure Of Respiratory Syncytial Virus Polymerase with Novel Non-Nucleoside Inhibitor | | Descriptor: | 8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide, Phosphoprotein, RNA-directed RNA polymerase L | | Authors: | Yu, X, Abeywickrema, P, Bonneux, B, Behera, I, Jacoby, E, Fung, A, Adhikary, S, Bhaumik, A, Carbajo, R.J, Bruyn, S.D, Miller, R, Patrick, A, Pham, Q, Piassek, M, Verheyen, N, Shareef, A, Sutto-Ortiz, P, Ysebaert, N, Vlijmen, H.V, Jonckers, T.H.M, Herschke, F, McLellan, J.S, Decroly, E, Fearns, R, Grosse, S, Roymans, D, Sharma, S, Rigaux, P, Jin, Z. | | Deposit date: | 2023-01-16 | | Release date: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural and mechanistic insights into the inhibition of respiratory syncytial virus polymerase by a non-nucleoside inhibitor.
Commun Biol, 6, 2023
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8V1J
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6Z3P
 | | Structure of EV71 in complex with a protective antibody 38-3-11A Fab | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Zhou, D, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-02 | | Last modified: | 2020-10-28 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
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8A6L
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6RCQ
 | | PfRH5-binding monoclonal antibody R5.011 | | Descriptor: | ACETATE ION, CACODYLATE ION, R5.011 heavy chain, ... | | Authors: | Alanine, D.W.G, Draper, S.J, Higgins, M.K. | | Deposit date: | 2019-04-11 | | Release date: | 2019-06-26 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
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6RCS
 | | PfRH5-binding monoclonal antibody R5.016 | | Descriptor: | ACETATE ION, R5.016 heavy chain, R5.016 light chain, ... | | Authors: | Alanine, D.W.G, Jamwal, A, Draper, S.J, Higgins, M.K. | | Deposit date: | 2019-04-11 | | Release date: | 2019-06-26 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
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8FJH
 | | Crystal structure of RalA in a covalent complex with SOF-531 | | Descriptor: | 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. | | Deposit date: | 2022-12-19 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
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6NEP
 | | Structure of human PACRG-MEIG1 complex | | Descriptor: | CHLORIDE ION, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ... | | Authors: | Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F. | | Deposit date: | 2018-12-18 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.097625 Å) | | Cite: | Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
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8D9N
 | | CryoEM structures of bAE1 captured in multiple states. | | Descriptor: | Anion exchange protein | | Authors: | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | | Deposit date: | 2022-06-10 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
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8FJI
 | | Crystal structure of RalA in a covalent complex with SOF-367 | | Descriptor: | 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. | | Deposit date: | 2022-12-19 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
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6Q3P
 | | Atomic resolution crystal structure of an AAB collagen heterotrimer | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Leading Chain of the AAB Collagen Heterotrimer, ... | | Authors: | Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W. | | Deposit date: | 2018-12-04 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
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8W22
 | | Umb1 umbrella toxin particle (local refinement of UmbB1 bound ALF of UmbC1 and UmbA1) | | Descriptor: | Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein | | Authors: | Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D. | | Deposit date: | 2024-02-19 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Streptomyces umbrella toxin particles block hyphal growth of competing species.
Nature, 629, 2024
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7A6H
 | | Cryo-EM structure of human apo RNA Polymerase III | | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | | Authors: | Girbig, M, Misiaszek, A.D, Vorlaender, M.K, Mueller, C.W. | | Deposit date: | 2020-08-25 | | Release date: | 2021-02-03 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of human RNA polymerase III in its unbound and transcribing states.
Nat.Struct.Mol.Biol., 28, 2021
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6Y5O
 | | The crystal structure of glycogen phosphorylase in complex with 20 | | Descriptor: | 2-(4-fluorophenyl)-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 (2.33 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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7A1Z
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | | Descriptor: | 1,2-ETHANEDIOL, 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ... | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-14 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.024 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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6NIV
 | | Racemic Phenol-Soluble Modulin Alpha 3 Peptide | | Descriptor: | Phenol-soluble modulin PSM-alpha-3 | | Authors: | Yao, Z, Cary, B.P, Bingman, C.A, Wang, C, Kreitler, D.F, Satyshur, K.A, Forest, K.T, Gellman, S.H. | | Deposit date: | 2018-12-31 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Use of a Stereochemical Strategy To Probe the Mechanism of Phenol-Soluble Modulin alpha 3 Toxicity.
J.Am.Chem.Soc., 141, 2019
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6NUB
 | | Pyruvate Kinase M2 Mutant - S437Y in Complex with L-serine | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Srivastava, D, Nandi, S, Dey, M. | | Deposit date: | 2019-01-31 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2.
Biochemistry, 58, 2019
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6C6F
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7AAU
 | | Crystal structure of nitrosoglutathione reductase from Chlamydomonas reinhardtii in complex with NAD+ | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D. | | Deposit date: | 2020-09-04 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020
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