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6IIT
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BU of 6iit by Molmil
Complex structure of the HRP3 PWWP domain with both a 16-bp TA-rich DNA and an H3K36me2-containing histone peptide
Descriptor: 16-bp TA-rich DNA, H3K36me2-containing histone peptide, Hepatoma-derived growth factor-related protein 3
Authors:Wang, Z, Tian, W.
Deposit date:2018-10-07
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Complex structure of the HRP3 PWWP domain with both a 16-bp TA-rich DNA and a H3K36me2-containing histone peptide
Nucleic Acids Res., 2019
4USU
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BU of 4usu by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate
Descriptor: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2014-07-13
Release date:2014-07-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
5ZM7
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BU of 5zm7 by Molmil
Crystal structure of ORP1-ORD in complex with cholesterol at 3.4 A resolution
Descriptor: CHOLESTEROL, Oxysterol-binding protein-related protein 1
Authors:Dong, J, Wang, J, Wu, J.W.
Deposit date:2018-04-01
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2.
Nat Commun, 10, 2019
6PUF
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BU of 6puf by Molmil
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:2024-11-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUM
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BU of 6pum by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU
Descriptor: 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUK
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BU of 6puk by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72
Descriptor: 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol, 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:2024-10-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUL
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BU of 6pul by Molmil
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:2024-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6AAG
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BU of 6aag by Molmil
Crystal structure of budding yeast Atg8 complexed with the helical AIM of Hfl1.
Descriptor: Transmembrane protein 184 homolog YKR051W,Autophagy-related protein 8
Authors:Yamasaki, A, Noda, N.N.
Deposit date:2018-07-18
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Lipidation-independent vacuolar functions of Atg8 rely on its noncanonical interaction with a vacuole membrane protein
Elife, 7, 2018
6PUE
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BU of 6pue by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU
Descriptor: 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PVC
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BU of 6pvc by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-DB28
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-20
Release date:2020-04-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Ligand-dependent downregulation of MR1 cell surface expression.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PVD
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BU of 6pvd by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-NV18.1
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-20
Release date:2020-04-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Ligand-dependent downregulation of MR1 cell surface expression.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Q7A
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BU of 6q7a by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6TLM
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BU of 6tlm by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand compound 13 (Glenmark)
Descriptor: 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-12-03
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.321 Å)
Cite:Elucidation of an Allosteric Mode of Action for a Thienopyrazole ROR gamma t Inverse Agonist.
Chemmedchem, 15, 2020
6PUI
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BU of 6pui by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'OH-Butyl-5-OP-U
Descriptor: 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUH
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BU of 6puh by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less
Descriptor: 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6Q7H
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BU of 6q7h by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6H2X
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BU of 6h2x by Molmil
MukB coiled-coil elbow from E. coli
Descriptor: Chromosome partition protein MukB,Chromosome partition protein MukB
Authors:Buermann, F, Lowe, J.
Deposit date:2018-07-16
Release date:2019-03-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A folded conformation of MukBEF and cohesin.
Nat.Struct.Mol.Biol., 26, 2019
6PUG
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BU of 6pug by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-2`OH-Ethyl-5-OP-U
Descriptor: 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
9C47
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BU of 9c47 by Molmil
TRRAP module of the human TIP60 complex
Descriptor: E1A-binding protein p400, Transformation/transcription domain-associated protein
Authors:Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E.
Deposit date:2024-06-03
Release date:2024-08-14
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
9C4B
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BU of 9c4b by Molmil
Second BAF53a of the human TIP60 complex
Descriptor: Actin-like protein 6A
Authors:Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E.
Deposit date:2024-06-03
Release date:2024-08-14
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
6CVH
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BU of 6cvh by Molmil
Identification and biological evaluation of thiazole-based inverse agonists of RORgt
Descriptor: Nuclear receptor ROR-gamma, trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
Authors:Spurlino, J, Milligan, C.
Deposit date:2018-03-28
Release date:2018-04-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Identification and biological evaluation of thiazole-based inverse agonists of ROR gamma t.
Bioorg. Med. Chem. Lett., 28, 2018
6B30
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BU of 6b30 by Molmil
Structure of RORgt in complex with a novel inverse agonist 1
Descriptor: N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Nuclear receptor ROR-gamma
Authors:Skene, R.J, Hoffman, I.
Deposit date:2017-09-20
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds.
Bioorg. Med. Chem., 26, 2018
6TQS
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BU of 6tqs by Molmil
The crystal structure of the MSP domain of human MOSPD2 in complex with the conventional FFAT motif of ORP1.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F.
Deposit date:2019-12-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019

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