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8HHP
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BU of 8hhp by Molmil
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-11-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
7CD0
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BU of 7cd0 by Molmil
Crystal structure of the 2-iodoporphobilinogen-bound ES2 intermediate form of human hydroxymethylbilane synthase
Descriptor: 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase
Authors:Sato, H, Sugishima, M, Wada, K, Hirabayashi, K, Tsukaguchi, M.
Deposit date:2020-06-18
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structures of hydroxymethylbilane synthase complexed with a substrate analog: a single substrate-binding site for four consecutive condensation steps.
Biochem.J., 478, 2021
7CCZ
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BU of 7ccz by Molmil
Crystal structure of the ES2 intermediate form of human hydroxymethylbilane synthase
Descriptor: 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase
Authors:Sato, H, Sugishima, M, Wada, K, Hirabayashi, K, Tsukaguchi, M.
Deposit date:2020-06-18
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structures of hydroxymethylbilane synthase complexed with a substrate analog: a single substrate-binding site for four consecutive condensation steps.
Biochem.J., 478, 2021
7CCX
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BU of 7ccx by Molmil
Crystal structure of the holo form of human hydroxymethylbilane synthase
Descriptor: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase
Authors:Sato, H, Sugishima, M, Wada, K, Hirabayashi, K, Tsukaguchi, M.
Deposit date:2020-06-18
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structures of hydroxymethylbilane synthase complexed with a substrate analog: a single substrate-binding site for four consecutive condensation steps.
Biochem.J., 478, 2021
7CCY
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BU of 7ccy by Molmil
Crystal structure of the 2-iodoporphobilinogen-bound holo form of human hydroxymethylbilane synthase
Descriptor: 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid, 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase
Authors:Sato, H, Sugishima, M, Wada, K, Hirabayashi, K, Tsukaguchi, M.
Deposit date:2020-06-18
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of hydroxymethylbilane synthase complexed with a substrate analog: a single substrate-binding site for four consecutive condensation steps.
Biochem.J., 478, 2021
7ET1
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BU of 7et1 by Molmil
Cryo-EM structure of the gastric proton pump K791S/E820D/Y340N/E936V/Y799W mutant in K+-occluded (K+)E2-AlF state
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K.
Deposit date:2021-05-12
Release date:2021-09-01
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Gastric proton pump with two occluded K + engineered with sodium pump-mimetic mutations.
Nat Commun, 12, 2021
6J79
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BU of 6j79 by Molmil
Fusion protein of heme oxygenase-1 and NADPH-cytochrome P450 reductase (13aa)
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ...
Authors:Sugishima, M, Wada, K.
Deposit date:2019-01-17
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.331 Å)
Cite:Crystal structure of a NADPH-cytochrome P450 oxidoreductase (CYPOR) and heme oxygenase 1 fusion protein implies a conformational change in CYPOR upon NADPH/NADP+binding.
Febs Lett., 593, 2019
7V4M
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BU of 7v4m by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
Descriptor: 2-OXOGLUTARIC ACID, Beta-hydroxylase, FE (III) ION, ...
Authors:Li, T.L, Saeid, M.Z.
Deposit date:2021-08-13
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
7V4O
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BU of 7v4o by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
Descriptor: 3,6,9,12,15-PENTAOXAHEPTADECANE, Beta-hydroxylase
Authors:Li, T.L, Saeid, M.Z.
Deposit date:2021-08-13
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
7V4N
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BU of 7v4n by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
Descriptor: Beta-hydroxylase, FE (III) ION
Authors:Li, T.L, Saeid, M.Z.
Deposit date:2021-08-13
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
7V4P
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BU of 7v4p by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
Descriptor: Beta-hydroxylase, FE (III) ION
Authors:Li, T.L, Saeid, M.Z.
Deposit date:2021-08-13
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
7V4F
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BU of 7v4f by Molmil
Unique non-heme hydroxylase in biosynthesis of nucleoside antibiotic pathway uncover mechanism of reaction
Descriptor: (2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid, Beta-hydroxylase, CARBON DIOXIDE, ...
Authors:Li, T.L, Saeid, M.Z.
Deposit date:2021-08-13
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:beta-Hydroxylation of alpha-amino-beta-hydroxylbutanoyl-glycyluridine catalyzed by a nonheme hydroxylase ensures the maturation of caprazamycin
Commun Chem, 5, 2022
2D4D
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BU of 2d4d by Molmil
The Crystal Structure of human beta2-microglobulin, L39W W60F W95F Mutant
Descriptor: Beta-2-microglobulin, SODIUM ION
Authors:Iwata, K, Matsuura, T, Nakagawa, A, Goto, Y.
Deposit date:2005-10-17
Release date:2006-08-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation of Amyloid Fibrils of beta2-Microglobulin Probed by Tryptophan Mutagenesis
J.Biol.Chem., 281, 2006
7E2O
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BU of 7e2o by Molmil
X-ray Crystal structure of PPARgamma R288H mutant.
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Egawa, D, Itoh, T.
Deposit date:2021-02-06
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Insights into the Loss-of-Function R288H Mutant of Human PPAR gamma.
Biol.Pharm.Bull., 44, 2021
2D4F
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BU of 2d4f by Molmil
The Crystal Structure of human beta2-microglobulin
Descriptor: Beta-2-microglobulin, SODIUM ION
Authors:Iwata, K, Matsuura, T, Nakagawa, A, Goto, Y.
Deposit date:2005-10-18
Release date:2006-08-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformation of Amyloid Fibrils of beta2-Microglobulin Probed by Tryptophan Mutagenesis
J.Biol.Chem., 281, 2006
2ZXM
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BU of 2zxm by Molmil
A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the Ligand-binding Pocket
Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Nakabayashi, M, Ikura, T, Ito, N.
Deposit date:2009-01-04
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:A New Class of Vitamin D Analogues that Induce Structural Rearrangement of the Ligand-Binding Pocket of the Receptor
J.Med.Chem., 52, 2009
5B1X
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BU of 5b1x by Molmil
Crystal structure of human dendritic cell inhibitory receptor (DCIR) C-type lectin domain in complex with biantennary glycan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, C-type lectin domain family 4 member A, CALCIUM ION
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2015-12-21
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Crystal structure of human dendritic cell inhibitory receptor C-type lectin domain reveals the binding mode with N-glycan
Febs Lett., 590, 2016
5B1W
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BU of 5b1w by Molmil
Crystal structure of human dendritic cell inhibitory receptor (DCIR) C-type lectin domain in ligand-free form
Descriptor: C-type lectin domain family 4 member A, CALCIUM ION
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2015-12-21
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of human dendritic cell inhibitory receptor C-type lectin domain reveals the binding mode with N-glycan
Febs Lett., 590, 2016
2ZXN
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BU of 2zxn by Molmil
A New Class of Vitamin D Receptor Ligands that Induce Structural Rearrangement of the Ligand-binding Pocket
Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Nakabayashi, M, Ikura, T, Ito, N.
Deposit date:2009-01-04
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A New Class of Vitamin D Analogues that Induce Structural Rearrangement of the Ligand-Binding Pocket of the Receptor
J.Med.Chem., 52, 2009
1BMD
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BU of 1bmd by Molmil
DETERMINANTS OF PROTEIN THERMOSTABILITY OBSERVED IN THE 1.9 ANGSTROMS CRYSTAL STRUCTURE OF MALATE DEHYDROGENASE FROM THE THERMOPHILIC BACTERIUM THERMUS FLAVUS
Descriptor: MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kelly, C.A, Birktoft, J.J.
Deposit date:1992-11-10
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determinants of protein thermostability observed in the 1.9-A crystal structure of malate dehydrogenase from the thermophilic bacterium Thermus flavus.
Biochemistry, 32, 1993
3WEX
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BU of 3wex by Molmil
Crystal structure of HLA-DP5 in complex with Cry j 1-derived peptide (residues 214-222)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II antigen
Authors:Kusano, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-16
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the specific recognition of the major antigenic peptide from the Japanese cedar pollen allergen Cry j 1 by HLA-DP5
J. Mol. Biol., 426, 2014
6K5O
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BU of 6k5o by Molmil
Development of Novel Lithocholic Acid Derivatives as Vitamin D Receptor Agonists
Descriptor: (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Masuno, H, Kagechika, H, Ito, N.
Deposit date:2019-05-29
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of novel lithocholic acid derivatives as vitamin D receptor agonists.
Bioorg.Med.Chem., 27, 2019
7C7W
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BU of 7c7w by Molmil
Vitamin D3 receptor/lithochoric acid derivative complex
Descriptor: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Masuno, H, Numoto, N, Kagechika, H, Ito, N.
Deposit date:2020-05-26
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
J.Med.Chem., 64, 2021
7C7V
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BU of 7c7v by Molmil
Vitamin D3 receptor/lithochoric acid derivative complex
Descriptor: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Masuno, H, Numoto, N, Kagechika, H, Ito, N.
Deposit date:2020-05-26
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
J.Med.Chem., 64, 2021

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