PDB: 225399 resultsInfo pagesStatus searchChemie searchBIRD

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7BAO	human Teneurin4 Mut C1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Meijer, D.H, Janssen, B.J.C. Deposit date: 2020-12-16 Release date: 2022-01-12 Last modified: 2022-05-11 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Teneurin4 dimer structures reveal a calcium-stabilized compact conformation supporting homomeric trans-interactions. Embo J., 41, 2022
5F3E	Crystal structure of human KDM4A in complex with compound 54a Descriptor: 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. Deposit date: 2015-12-02 Release date: 2016-01-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.16 Å) Cite: 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
6PUF	Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... Authors: Awad, W, Rossjohn, J. Deposit date: 2019-07-18 Release date: 2020-02-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.92 Å) Cite: The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
8D2V	Zebrafish MFSD2A isoform B in inward open ligand 1B conformation Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... Authors: Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. Deposit date: 2022-05-30 Release date: 2023-05-10 Last modified: 2023-05-24 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
5AZ6	Crystal structure of MBP-Tom20 fusion protein with a 2-residue spacer in the connector helix Descriptor: Maltose-binding periplasmic protein,Mitochondrial import receptor subunit TOM20 homolog, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Matsuoka, R, Kohda, D. Deposit date: 2015-09-27 Release date: 2016-01-13 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.56 Å) Cite: Rational design of crystal contact-free space in protein crystals for analyzing spatial distribution of motions within protein molecules. Protein Sci., 25, 2016
4XTY	Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 63 with Fluorine in place of 2'OH Descriptor: 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA Authors: De la Mora-Rey, T, Finzel, B.C. Deposit date: 2015-01-24 Release date: 2015-09-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.80002666 Å) Cite: Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
5EX4	3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with tryptophan in all three allosteric binding sites Descriptor: 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase, CHLORIDE ION, GLYCEROL, ... Authors: Reichau, S, Jiao, W, Blackmore, N.J, Hutton, R.D, Parker, E.J. Deposit date: 2015-11-23 Release date: 2015-12-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.25 Å) Cite: 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with tryptophan in all three allosteric binding sites to be published
7BAN	human Teneurin4 Mut C2 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Meijer, D.H, Janssen, B.J.C. Deposit date: 2020-12-16 Release date: 2022-01-12 Last modified: 2022-05-11 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Teneurin4 dimer structures reveal a calcium-stabilized compact conformation supporting homomeric trans-interactions. Embo J., 41, 2022
2UX8	Crystal Structure of Sphingomonas elodea ATCC 31461 Glucose-1- phosphate uridylyltransferase in Complex with glucose-1-phosphate. Descriptor: 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE Authors: Aragao, D, Fialho, A.M, Marques, A.R, Frazao, C, Sa-Correia, I, Mitchell, E.P. Deposit date: 2007-03-27 Release date: 2007-05-22 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.65 Å) Cite: The Complex of Sphingomonas Elodea Atcc 31461 Glucose-1-Phosphate Uridylyltransferase with Glucose-1-Phosphate Reveals a Novel Quaternary Structure, Unique Among Nucleoside Diphosphate-Sugar Pyrophosphorylase Members. J.Bacteriol., 189, 2007
8D2U	Zebrafish MFSD2A isoform B in inward open ligand 1A conformation Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... Authors: Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. Deposit date: 2022-05-30 Release date: 2023-05-10 Last modified: 2023-05-24 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
8D2S	Zebrafish MFSD2A isoform B in inward open ligand bound conformation Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... Authors: Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. Deposit date: 2022-05-30 Release date: 2023-05-10 Last modified: 2023-05-24 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
5F2P	Crystal structure of the BRD9 bromodomain in complex with compound 3. Descriptor: 2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one, BRD9 Authors: Nar, H, Fiegen, D, Zoephel, A, Bader, G. Deposit date: 2015-12-02 Release date: 2016-03-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
8D2W	Zebrafish MFSD2A isoform B in inward open ligand 2B conformation Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... Authors: Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. Deposit date: 2022-05-30 Release date: 2023-05-10 Last modified: 2023-05-24 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
6TOT	Crystal structure of the Orexin-1 receptor in complex with lemborexant Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 1, ... Authors: Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. Deposit date: 2019-12-11 Release date: 2020-01-15 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
8D2T	Zebrafish MFSD2A isoform B in inward open ligand-free conformation Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... Authors: Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. Deposit date: 2022-05-30 Release date: 2023-05-10 Last modified: 2023-05-24 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
8D2X	Zebrafish MFSD2A isoform B in inward open ligand 3C conformation Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... Authors: Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. Deposit date: 2022-05-30 Release date: 2023-05-10 Last modified: 2023-05-24 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
8J4Z	Human 3-methylcrotonyl-CoA carboxylase in BCCP-CTS state with substrate Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial, ... Authors: Liu, D.S, Su, J.Y. Deposit date: 2023-04-21 Release date: 2024-04-24 Method: ELECTRON MICROSCOPY (2.73 Å) Cite: Human 3-methylcrotonyl-CoA carboxylase in BCCP-CTS state with substrate To Be Published
6QB6	Mcl1 in complex with a Fab Descriptor: Fab Heavy Chain, Fab Light Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 Authors: Hargreaves, D. Deposit date: 2018-12-20 Release date: 2019-11-06 Last modified: 2019-11-13 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1. Acta Crystallogr D Struct Biol, 75, 2019
6TP3	Crystal structure of the Orexin-1 receptor in complex with daridorexant Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Orexin receptor type 1, SULFATE ION, ... Authors: Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. Deposit date: 2019-12-12 Release date: 2020-01-01 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.04 Å) Cite: Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
6TO7	Crystal structure of the Orexin-1 receptor in complex with suvorexant at 2.29 A resolution Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, Orexin receptor type 1, ... Authors: Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. Deposit date: 2019-12-11 Release date: 2020-01-01 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
2V8L	Carbohydrate-binding of the starch binding domain of Rhizopus oryzae glucoamylase in complex with beta-cyclodextrin and maltoheptaose Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLUCOAMYLASE A, ZINC ION Authors: Tung, J.-Y, Liu, Y.-Y, Sun, Y.-J. Deposit date: 2007-08-09 Release date: 2008-08-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structures of the Starch-Binding Domain from Rhizopus Oryzae Glucoamylase Reveal a Polysaccharide-Binding Path. Biochem.J., 416, 2008
5U6E	Crystal structure of clade A/E HIV-1 gp120 core in complex with NBD-14010 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide, ... Authors: Kwon, Y.D, Debnath, A.K, Kwong, P.D. Deposit date: 2016-12-07 Release date: 2017-03-22 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.095 Å) Cite: Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120. J. Med. Chem., 60, 2017
4XU2	Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose Descriptor: 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA Authors: De la Mora-Rey, T, Finzel, B.C. Deposit date: 2015-01-24 Release date: 2015-09-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8500284 Å) Cite: Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors. J.Med.Chem., 58, 2015
8J7D	Human 3-methylcrotonyl-CoA carboxylase in BCCP-H1 state Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial, ... Authors: Liu, D.S, Su, J.Y. Deposit date: 2023-04-27 Release date: 2024-05-08 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Human 3-methylcrotonyl-CoA carboxylase in BCCP-H1 state To Be Published
8J78	Human 3-methylcrotonyl-CoA carboxylase in BCCP-H2 state Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial, ... Authors: Liu, D.S, Su, J.Y. Deposit date: 2023-04-27 Release date: 2024-05-08 Method: ELECTRON MICROSCOPY (3.88 Å) Cite: Human 3-methylcrotonyl-CoA carboxylase in BCCP-H2 state To Be Published

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