PDB: 30867 resultsInfo pagesStatus searchChemie searchBIRD

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6JDH	Crystal structure of N-acetyl mannosmaine kinase from Pasteurella multocida Descriptor: GLYCEROL, N-acetylmannosamine kinase, ZINC ION Authors: Thanuja, G, Ramaswamy, S. Deposit date: 2019-02-01 Release date: 2020-02-05 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure and Function of N‐Acetylmannosamine Kinases from Pathogenic Bacteria. Acs Omega, 5, 2020
6F9L	Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose Descriptor: Beta-amylase, CHLORIDE ION, alpha-D-glucopyranose-(1-4)-3-deoxy-3-fluoro-alpha-D-glucopyranose Authors: Tantanarat, K, Stevenson, C.E.M, Rejzek, M, Lawson, D.M, Field, R.A. Deposit date: 2017-12-14 Release date: 2019-01-30 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose To be published
6PUL	Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU Descriptor: 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, ACETATE ION, Beta-2-microglobulin, ... Authors: Awad, W, Keller, A.N, Rossjohn, J. Deposit date: 2019-07-18 Release date: 2020-02-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.84 Å) Cite: The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
5VA6	CRYSTAL STRUCTURE OF ATXR5 IN COMPLEX WITH HISTONE H3.1 MONO-METHYLATED ON R26 Descriptor: Histone H3.1, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE Authors: Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F. Deposit date: 2017-03-24 Release date: 2017-04-19 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Molecular basis for the methylation specificity of ATXR5 for histone H3. Nucleic Acids Res., 45, 2017
6CNU	Crystal Structure of JzTX-V Descriptor: BROMIDE ION, GLYCEROL, JzTx-V, ... Authors: Min, X, Wang, Z. Deposit date: 2018-03-09 Release date: 2019-03-06 Last modified: 2020-03-04 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Discovery of Tarantula Venom-Derived NaV1.7-Inhibitory JzTx-V Peptide 5-Br-Trp24 Analogue AM-6120 with Systemic Block of Histamine-Induced Pruritis. J. Med. Chem., 61, 2018
7L4J	Crystal structure of WT PPM1H phosphatase Descriptor: MAGNESIUM ION, Protein phosphatase 1H Authors: Khan, A.R, Waschbusch, D. Deposit date: 2020-12-19 Release date: 2021-08-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.451 Å) Cite: Structural basis for the specificity of PPM1H phosphatase for Rab GTPases. Embo Rep., 22, 2021
6F9R	Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp. Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... Authors: Cozier, G.E, Acharya, K.R. Deposit date: 2017-12-15 Release date: 2018-03-07 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity. FEBS J., 285, 2018
6YH0	Marasmius oreades agglutinin (MOA) in complex with the truncated PVPRAHS synthetic substrate Descriptor: Agglutinin, CALCIUM ION, CHLORIDE ION, ... Authors: Cordara, G, Manna, D, Krengel, U. Deposit date: 2020-03-28 Release date: 2020-07-29 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti . Curr Res Struct Biol, 2, 2020
7Q63	The tandem SH2 domains of SYK Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. Deposit date: 2021-11-05 Release date: 2021-11-24 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The tandem SH2 domains of SYK To Be Published
7KK9	Fluoride channel Fluc-Ec2 mutant S81A/T82A with bromide Descriptor: BROMIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, Putative fluoride ion transporter CrcB, ... Authors: McIlwain, B.C, Stockbridge, R.B. Deposit date: 2020-10-27 Release date: 2021-08-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.1 Å) Cite: The fluoride permeation pathway and anion recognition in Fluc family fluoride channels. Elife, 10, 2021
5UNS	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2017-01-31 Release date: 2017-05-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
5GGK	Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with Man-beta-pNP Descriptor: 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-mannopyranoside, DI(HYDROXYETHYL)ETHER, ... Authors: Kuwabara, N, Senda, T, Kato, R. Deposit date: 2016-06-16 Release date: 2016-08-10 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan Proc.Natl.Acad.Sci.USA, 113, 2016
7Q5W	The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... Authors: Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. Deposit date: 2021-11-04 Release date: 2021-11-24 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The tandem SH2 domains of SYK To Be Published
8AGK	Botulinum neurotoxin subtype A6 cell binding domain in complex with GD1a ganglioside Descriptor: 1,2-ETHANEDIOL, Bont/A1, DI(HYDROXYETHYL)ETHER, ... Authors: Gregory, K.S, Acharya, K.R, Liu, S.M, Newell, A.R, Mojanaga, O.O. Deposit date: 2022-07-20 Release date: 2022-09-21 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal Structures of the Clostridium botulinum Neurotoxin A6 Cell Binding Domain Alone and in Complex with GD1a Reveal Significant Conformational Flexibility. Int J Mol Sci, 23, 2022
5UO3	Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... Authors: Li, H, Poulos, T.L. Deposit date: 2017-01-31 Release date: 2017-05-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
7L4F	Crystal structure of the DRM2-CAT DNA complex Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*CP*CP*TP*CP*CP*TP*(C49)P*AP*TP*CP*CP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*GP*GP*AP*TP*GP*AP*GP*GP*AP*GP*GP*AP*AP*T)-3'), ... Authors: Fang, J, Song, J. Deposit date: 2020-12-19 Release date: 2021-08-04 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Substrate deformation regulates DRM2-mediated DNA methylation in plants. Sci Adv, 7, 2021
6YHH	X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL Authors: Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J. Deposit date: 2020-03-30 Release date: 2020-09-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae. Sci Rep, 10, 2020
7KM5	Crystal structure of SARS-CoV-2 RBD complexed with Nanosota-1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Spike protein S1, ... Authors: Ye, G, Shi, K, Aihara, H, Li, F. Deposit date: 2020-11-02 Release date: 2021-08-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.19 Å) Cite: The development of Nanosota - 1 as anti-SARS-CoV-2 nanobody drug candidates. Elife, 10, 2021
6CPE	Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A Authors: Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D. Deposit date: 2018-03-13 Release date: 2018-06-27 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
8AHG	PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide Authors: Baker, L.M, Murray, J.B, Hubbard, R.E. Deposit date: 2022-07-21 Release date: 2022-09-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.885 Å) Cite: PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
7Q5T	The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ... Authors: Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. Deposit date: 2021-11-04 Release date: 2021-11-24 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The tandem SH2 domains of SYK To Be Published
5GGO	Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with GalNac-beta1,3-GlcNAc-beta-pNP Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1 Authors: Kuwabara, N, Senda, T, Kato, R. Deposit date: 2016-06-16 Release date: 2016-08-10 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.502 Å) Cite: Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan Proc.Natl.Acad.Sci.USA, 113, 2016
7L33	X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer Descriptor: COPPER (II) ION, Cu-3SCC Authors: Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D. Deposit date: 2020-12-17 Release date: 2021-08-11 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.45 Å) Cite: De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide Acs Catalysis, 11, 2021
6CPO	Crystal structure of DR15 presenting the RQ13 peptide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... Authors: Farenc, C, Gras, S, Rossjohn, J. Deposit date: 2018-03-13 Release date: 2018-06-06 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.4 Å) Cite: CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
7Q5U	The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... Authors: Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. Deposit date: 2021-11-04 Release date: 2021-11-24 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.4 Å) Cite: The tandem SH2 domains of SYK To Be Published

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