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7W76
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BU of 7w76 by Molmil
Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II
分子名称: E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ...
著者Shi, M, Zhao, J, Xiang, S.
登録日2021-12-03
公開日2023-03-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
7EXT
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BU of 7ext by Molmil
Cryo-EM structure of cyanobacterial phycobilisome from Synechococcus sp. PCC 7002
分子名称: Allophycocyanin alpha subunit, Allophycocyanin beta subunit, Allophycocyanin subunit alpha-B, ...
著者Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N.
登録日2021-05-28
公開日2021-10-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
7EYD
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BU of 7eyd by Molmil
Cryo-EM structure of cyanobacterial phycobilisome from Anabaena sp. PCC 7120
分子名称: Allophycocyanin subunit alpha 1, Allophycocyanin subunit alpha-B, Allophycocyanin subunit beta, ...
著者Zheng, L, Zheng, Z, Li, X, Wang, G, Zhang, K, Wei, P, Zhao, J, Gao, N.
登録日2021-05-30
公開日2021-10-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insight into the mechanism of energy transfer in cyanobacterial phycobilisomes.
Nat Commun, 12, 2021
4U5T
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BU of 4u5t by Molmil
Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid
分子名称: (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper
著者Stagno, J.R, Ji, X.
登録日2014-07-25
公開日2014-08-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
8E4A
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BU of 8e4a by Molmil
Pseudomonas LpxC in complex with LPC-233
分子名称: 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Najeeb, J, Zhou, P.
登録日2022-08-17
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
4FH7
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BU of 4fh7 by Molmil
Structure of DHP A in complex with 2,4,6-tribromophenol in 20% methanol
分子名称: 2,4,6-TRIBROMOPHENOL, Dehaloperoxidase A, METHANOL, ...
著者de Serrano, V.S, Franzen, S.
登録日2012-06-05
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
4FH6
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BU of 4fh6 by Molmil
Structure of DHP A in complex with 2,4,6-tribromophenol in 10% DMSO
分子名称: 2,4,6-TRIBROMOPHENOL, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ...
著者de Serrano, V.S, Franzen, S.
登録日2012-06-05
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
6TYY
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BU of 6tyy by Molmil
Hedgehog autoprocessing mutant D46H
分子名称: Protein hedgehog
著者Li, H, Li, Z, Wang, C, Callahan, B.P.
登録日2019-08-09
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
4ZJW
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BU of 4zjw by Molmil
RORgamma in complex with inverse agonist 16
分子名称: 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-N-methylbenzamide, Nuclear receptor ROR-gamma
著者Marcotte, D.J.
登録日2015-04-29
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
4ZJR
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BU of 4zjr by Molmil
RORgamma in complex with inverse agonist 48
分子名称: 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide, Nuclear receptor ROR-gamma
著者Marcotte, D.J.
登録日2015-04-29
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
6GMI
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BU of 6gmi by Molmil
Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm.
分子名称: IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
著者Rebelein, J.G.
登録日2018-05-26
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in Escherichia coli's Periplasm.
J. Am. Chem. Soc., 140, 2018
7QZ8
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BU of 7qz8 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ7
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BU of 7qz7 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5,6,7-trifluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ9
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BU of 7qz9 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ6
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BU of 7qz6 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5-fluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ5
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BU of 7qz5 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
6EBU
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BU of 6ebu by Molmil
Crystal structure of Aquifex aeolicus LpxE
分子名称: LpxE, SULFATE ION, octyl beta-D-glucopyranoside
著者Wu, Q, Wang, S, Zhou, P.
登録日2018-08-07
公開日2019-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.372 Å)
主引用文献The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis.
Mbio, 10, 2019
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
分子名称: 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION
著者Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
登録日2011-04-01
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
5UF5
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BU of 5uf5 by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer)
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
5UFK
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BU of 5ufk by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-04
公開日2017-05-10
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
8SAI
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BU of 8sai by Molmil
Cryo-EM structure of GPR34-Gi complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Yong, X.H, Zhao, C, Yan, W, Shao, Z.H.
登録日2023-04-01
公開日2023-10-04
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
5H3R
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BU of 5h3r by Molmil
Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA
分子名称: DNA (5'-D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)-3'), Multiple antibiotic resistance protein MarR
著者Zhu, R, Lou, H, Hao, Z.
登録日2016-10-26
公開日2017-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural characterization of the DNA-binding mechanism underlying the copper(II)-sensing MarR transcriptional regulator.
J. Biol. Inorg. Chem., 22, 2017
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
分子名称: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,Probable G-protein coupled receptor 34,YL-365
著者Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
登録日2023-04-06
公開日2024-03-20
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
5I7U
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BU of 5i7u by Molmil
Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor
分子名称: 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2016-02-18
公開日2016-06-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.
Acs Med.Chem.Lett., 7, 2016
8Y2G
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BU of 8y2g by Molmil
Cryo-EM structure of human dopamine transporter in complex with methylphenidate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SODIUM ION, ...
著者Zhao, Y, Li, Y.
登録日2024-01-25
公開日2024-08-14
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024

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