7SIZ
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![BU of 7siz by Molmil](/molmil-images/mine/7siz) | C-type inactivation in a voltage gated K+ channel | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Voltage gated potassium channel Kv1.2-Kv2.1, ... | Authors: | Reddi, R, Riederer, E.A, Matulef, K, Whorton, M.R, Valiyaveetil, F.I. | Deposit date: | 2021-10-15 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for C-type inactivation in a Shaker family voltage-gated K + channel. Sci Adv, 8, 2022
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7NJB
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![BU of 7njb by Molmil](/molmil-images/mine/7njb) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132 | Descriptor: | 14-3-3 protein sigma, 4-piperidin-1-ylsulfonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7S3L
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7UAJ
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![BU of 7uaj by Molmil](/molmil-images/mine/7uaj) | Crystal structure of apo HPV16 E6 | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Protein E6, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Shen, Q, Leonard, P.G, Cross, J.B. | Deposit date: | 2022-03-13 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Disorder-to-order transition of the interdomain linker of HPV E6 upon E6AP binding reshapes p53 binding pocket To Be Published
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4ZA0
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![BU of 4za0 by Molmil](/molmil-images/mine/4za0) | Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate | Descriptor: | Gamma-enolase, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID | Authors: | Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. | Deposit date: | 2015-04-13 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | SF2312 is a natural phosphonate inhibitor of enolase. Nat.Chem.Biol., 12, 2016
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8BBD
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4ZE0
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![BU of 4ze0 by Molmil](/molmil-images/mine/4ze0) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-04-20 | Release date: | 2016-03-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
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8B7E
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7NK3
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![BU of 7nk3 by Molmil](/molmil-images/mine/7nk3) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128 | Descriptor: | 14-3-3 protein sigma, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-17 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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8OSD
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![BU of 8osd by Molmil](/molmil-images/mine/8osd) | Crystal structure of the titin domain Fn3-49 | Descriptor: | Titin | Authors: | Nikoopour, R, Rees, M, Gautel, M. | Deposit date: | 2023-04-18 | Release date: | 2023-08-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation. J.Struct.Biol., 215, 2023
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8BBC
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7UW2
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![BU of 7uw2 by Molmil](/molmil-images/mine/7uw2) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chattopadhyay, D, Yang, Z, Atigadda, V. | Deposit date: | 2022-05-02 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
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8ONN
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![BU of 8onn by Molmil](/molmil-images/mine/8onn) | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with 3-aminooxypropionic acid | Descriptor: | 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV | Authors: | Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. | Deposit date: | 2023-04-03 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity. Biochem.J., 480, 2023
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7NIF
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![BU of 7nif by Molmil](/molmil-images/mine/7nif) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011 | Descriptor: | 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-12 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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8BAZ
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![BU of 8baz by Molmil](/molmil-images/mine/8baz) | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. | Descriptor: | COB(II)INAMIDE, CYANIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Whittaker, J, Martinez-Felices, J.M, Guskov, A, Slotboom, D.J. | Deposit date: | 2022-10-12 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobinamide. To Be Published
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7UW4
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![BU of 7uw4 by Molmil](/molmil-images/mine/7uw4) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chattopadhyay, D, Yang, Z, Atigadda, V. | Deposit date: | 2022-05-02 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
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8BAM
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![BU of 8bam by Molmil](/molmil-images/mine/8bam) | Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, tenfold mutant active on propanol syringol | Descriptor: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Alvigini, L, Mattevi, A. | Deposit date: | 2022-10-11 | Release date: | 2023-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol. Acs Catalysis, 13, 2023
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7NJ8
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![BU of 7nj8 by Molmil](/molmil-images/mine/7nj8) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6U8C
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![BU of 6u8c by Molmil](/molmil-images/mine/6u8c) | Crystal structure of an engineered ultra-high affinity Fab-Protein G complex | Descriptor: | Antibody heavy chain Fab, Antibody light chain Fab, Protein G | Authors: | Slezak, T, Filippova, E.V, Davydova, E.K, Kossiakoff, A.A. | Deposit date: | 2019-09-04 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | An engineered ultra-high affinity Fab-Protein G pair enables a modular antibody platform with multifunctional capability. Protein Sci., 29, 2020
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6L5W
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![BU of 6l5w by Molmil](/molmil-images/mine/6l5w) | Carbonmonoxy human hemoglobin C in the R quaternary structure at 140 K: Light (2 min) | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-10-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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7ULY
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![BU of 7uly by Molmil](/molmil-images/mine/7uly) | MicroED structure of triclinic lysozyme | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Gonen, T. | Deposit date: | 2022-04-05 | Release date: | 2023-03-15 | Method: | ELECTRON CRYSTALLOGRAPHY (0.87 Å) | Cite: | Hydrogens and hydrogen-bond networks in macromolecular MicroED data. J Struct Biol X, 6, 2022
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8BAI
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![BU of 8bai by Molmil](/molmil-images/mine/8bai) | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. | Descriptor: | CYANOCOBALAMIN, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Whittaker, J, Martinez Felices, J.M, Guskov, A, Slotboom, D.J. | Deposit date: | 2022-10-11 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. To Be Published
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6KZU
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7N5Z
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![BU of 7n5z by Molmil](/molmil-images/mine/7n5z) | SARS-CoV-2 Main protease C145S mutant | Descriptor: | 3C-like proteinase | Authors: | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | Deposit date: | 2021-06-07 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process. J.Mol.Biol., 433, 2021
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7RYN
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![BU of 7ryn by Molmil](/molmil-images/mine/7ryn) | CD1a-sulfatide-gdTCR complex | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | Deposit date: | 2021-08-25 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors. Nat Commun, 13, 2022
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