6NV2
 
 | | 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005 | | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2019-02-04 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
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1A1F
 | | DSNR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GACC SITE) | | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*TP*CP*CP*CP*AP*CP*GP*C)-3'), THREE-FINGER ZIF268 PEPTIDE, ... | | Authors: | Elrod-Erickson, M, Benson, T.E, Pabo, C.O. | | Deposit date: | 1997-12-10 | | Release date: | 1998-06-10 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition.
Structure, 6, 1998
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5JR8
 | | Disposal of Iron by a Mutant form of Siderocalin NGAL | | Descriptor: | GLYCEROL, Neutrophil gelatinase-associated lipocalin, PHOSPHATE ION | | Authors: | Rupert, P.B, Strong, R.K, Barasch, J, Hollman, M, Deng, R, Hod, E.A, Abergel, R, Allred, B, Xu, K, Darrah, S, Tekabe, Y, Perlstein, A, Bruck, E, Stauber, J, Corbin, K, Buchen, C, Slavkovich, V, Graziano, J, Spitalnik, S, Qiu, A. | | Deposit date: | 2016-05-05 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Disposal of iron by a mutant form of lipocalin 2.
Nat Commun, 7, 2016
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3NHW
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6Q7S
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, PHENOL, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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8RDK
 | | Crystal structure of human Haspin (GSG2) kinase bound to MD420 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline, Serine/threonine-protein kinase haspin, ... | | Authors: | Kraemer, A, Defois, M, Giraud, F, Moreau, P, Anizon, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-12-08 | | Release date: | 2024-03-06 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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8A7I
 | | Crystal structure of BRD9 bromodomain in complex with compound EA-89 | | Descriptor: | Bromodomain-containing protein 9, ~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide | | Authors: | Faller, M, Zink, F. | | Deposit date: | 2022-06-21 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | BRD9 degraders as chemosensitizers in acute leukemia and multiple myeloma.
Blood Cancer J, 12, 2022
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7OFV
 | | NMR-guided design of potent and selective EphA4 agonistic ligands | | Descriptor: | ACETATE ION, EphA4 agonist ligand, Ephrin type-A receptor 4 | | Authors: | Ganichkin, O.M, Craig, T.K, Baggio, C, Pellecchia, M. | | Deposit date: | 2021-05-05 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | NMR-Guided Design of Potent and Selective EphA4 Agonistic Ligands.
J.Med.Chem., 64, 2021
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6Q83
 | | Crystal structure of the biportin Pdr6 in complex with UBC9 | | Descriptor: | Importin beta-like protein KAP122, UBC9 | | Authors: | Aksu, M, Trakhanov, S, Vera-Rodriguez, A, Gorlich, D. | | Deposit date: | 2018-12-14 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.53 Å) | | Cite: | Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019
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6HMR
 | | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, MALONIC ACID | | Authors: | Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. | | Deposit date: | 2018-09-12 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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6GO4
 | | TdT chimera (Loop1 of pol mu) - binary complex with ddCTP | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA nucleotidylexotransferase,DNA-directed DNA/RNA polymerase mu,DNA nucleotidylexotransferase, MAGNESIUM ION, ... | | Authors: | Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M. | | Deposit date: | 2018-06-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
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6WIK
 | | Cryo-EM structure of SLC40/ferroportin with Fab in the presence of hepcidin | | Descriptor: | 11F9 Fab heavy-chain, 11F9 Fab light-chain, Solute carrier family 40 protein | | Authors: | Shen, J, Ren, Z, Pan, Y, Gao, S, Yan, N, Zhou, M. | | Deposit date: | 2020-04-10 | | Release date: | 2020-11-11 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of ion transport and inhibition in ferroportin.
Nat Commun, 11, 2020
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1RKB
 | | The structure of adrenal gland protein AD-004 | | Descriptor: | LITHIUM ION, Protein AD-004, SULFATE ION | | Authors: | Ren, H, Liang, Y, Bennett, M, Su, X.D. | | Deposit date: | 2003-11-21 | | Release date: | 2005-01-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of human adenylate kinase 6: An adenylate kinase localized to the cell nucleus
Proc.Natl.Acad.Sci.Usa, 102, 2005
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7TIM
 | | STRUCTURE OF THE TRIOSEPHOSPHATE ISOMERASE-PHOSPHOGLYCOLOHYDROXAMATE COMPLEX: AN ANALOGUE OF THE INTERMEDIATE ON THE REACTION PATHWAY | | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Davenport, R.C, Bash, P.A, Seaton, B.A, Karplus, M, Petsko, G.A, Ringe, D. | | Deposit date: | 1991-04-23 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analogue of the intermediate on the reaction pathway.
Biochemistry, 30, 1991
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6NJ8
 | | Encapsulin iron storage compartment from Quasibacillus thermotolerans | | Descriptor: | Encapsulating protein for a DyP-type peroxidase, targeting peptide | | Authors: | Orlando, B.J, Giessen, T.W, Chambers, M.G, Liao, M, Silver, P.A. | | Deposit date: | 2019-01-02 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Large protein organelles form a new iron sequestration system with high storage capacity.
Elife, 8, 2019
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1AIV
 | | APO OVOTRANSFERRIN | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OVOTRANSFERRIN | | Authors: | Kurokawa, H, Dewan, J.C, Mikami, B, Sacchettini, J.C, Hirose, M. | | Deposit date: | 1997-04-28 | | Release date: | 1998-04-29 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of hen apo-ovotransferrin. Both lobes adopt an open conformation upon loss of iron
J.Biol.Chem., 274, 1999
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1XY3
 | | Urate oxidase from aspergillus flavus complexed with guanine | | Descriptor: | GUANINE, Uricase | | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | | Deposit date: | 2004-11-09 | | Release date: | 2005-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site.
Acta Crystallogr.,Sect.D, 61, 2005
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6NEF
 | | Outer Membrane Cytochrome S Filament from Geobacter Sulfurreducens | | Descriptor: | C-type cytochrome OmcS, HEME C, MAGNESIUM ION | | Authors: | Filman, D.J, Marino, S.F, Ward, J.E, Yang, L, Mester, Z, Bullitt, E, Lovley, D.R, Strauss, M. | | Deposit date: | 2018-12-17 | | Release date: | 2019-07-03 | | Last modified: | 2019-09-11 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Cryo-EM reveals the structural basis of long-range electron transport in a cytochrome-based bacterial nanowire.
Commun Biol, 2, 2019
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8QWR
 | | Crystal structure of CotB2 variant V80L | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Cyclooctat-9-en-7-ol synthase, ... | | Authors: | Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B. | | Deposit date: | 2023-10-20 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of CotB2 variant V80L
To Be Published
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1RM6
 | | Structure of 4-hydroxybenzoyl-CoA reductase from Thauera aromatica | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxybenzoyl-CoA reductase alpha subunit, ... | | Authors: | Unciuleac, M, Warkentin, E, Page, C.C, Dutton, P.L, Boll, M, Ermler, U. | | Deposit date: | 2003-11-27 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of a Xanthine Oxidase-Related 4-Hydroxybenzoyl-CoA Reductase with an Additional [4Fe-4S] Cluster and an Inverted Electron Flow
Structure, 12, 2004
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6QJP
 | | Cryo-EM structure of heparin-induced 2N4R tau jagged filaments | | Descriptor: | Microtubule-associated protein tau | | Authors: | Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2019-01-24 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
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7NRW
 | | Human myelin protein P2 mutant M114T | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Myelin P2 protein, ... | | Authors: | Uusitalo, M, Ruskamo, S, Kursula, P. | | Deposit date: | 2021-03-04 | | Release date: | 2021-09-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human myelin protein P2: from crystallography to time-lapse membrane imaging and neuropathy-associated variants.
Febs J., 288, 2021
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3MYU
 | | Mycoplasma genitalium MG289 | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, ACETATE ION, High affinity transport system protein p37 | | Authors: | Sippel, K.H, Boehlein, S.K, Govindasamy, L, Namiki, K, Satai, Y, Quirit, J.G, Agbandje-McKenna, M, Goodison, S, Rosser, C.J, Sankaran, B, McKenna, R. | | Deposit date: | 2010-05-11 | | Release date: | 2010-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Insights into Mycoplasma genitalium metabolism revealed by the structure of MG289, an extracytoplasmic thiamine binding lipoprotein.
Proteins, 79, 2011
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6NBK
 | | Crystal structure of Arginase from Bacillus cereus | | Descriptor: | Arginase, CALCIUM ION, MANGANESE (II) ION | | Authors: | Chang, C, Evdokimova, E, Mcchesney, M, Joachimiak, A, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-07 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of Arginase from Bacillus cereus
To Be Published
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6QBO
 | | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A | | Descriptor: | Cell wall assembly regulator SMI1 | | Authors: | Ramos, N, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | | Deposit date: | 2018-12-21 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203A
To Be Published
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