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6PDZ
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BU of 6pdz by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with SMRT peptide and inverse agonist T0070907
分子名称: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2019-06-19
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
6ONJ
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BU of 6onj by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with TRAP220 peptide and agonist rosiglitazone
分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Mediator of RNA polymerase II transcription subunit 1, ...
著者Shang, J, Kojetin, D.J.
登録日2019-04-22
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
6CDS
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BU of 6cds by Molmil
Human neurofibromin 2/merlin/schwannomin residues 1-339 in complex with PIP2
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Merlin, ...
著者Chinthalapudi, K, Sharff, A.J, Bricogne, G, Izard, T.
登録日2018-02-09
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Lipid binding promotes the open conformation and tumor-suppressive activity of neurofibromin 2.
Nat Commun, 9, 2018
6WML
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BU of 6wml by Molmil
Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod)
分子名称: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L.
登録日2020-04-21
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.
J.Med.Chem., 63, 2020
8KG5
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BU of 8kg5 by Molmil
Prefusion RSV F Bound to Lonafarnib and D25 Fab
分子名称: 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ...
著者Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X.
登録日2023-08-17
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein.
Signal Transduct Target Ther, 9, 2024
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
分子名称: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
登録日2019-11-22
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
4R2Y
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BU of 4r2y by Molmil
Crystal structure of APC11 RING domain
分子名称: Anaphase-promoting complex subunit 11, ZINC ION
著者Brown, N.G, Watson, E.R, Weissmann, F, Jarvis, M.A, Vanderlinden, R, Grace, C.R.R, Frye, J.J, Dube, P, Qiao, R, Petzold, G, Cho, S.E, Alsharif, O, Bao, J, Zheng, J, Nourse, A, Kurinov, I, Peters, J.M, Stark, H, Schulman, B.A.
登録日2014-08-13
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Mechanism of Polyubiquitination by Human Anaphase-Promoting Complex: RING Repurposing for Ubiquitin Chain Assembly.
Mol.Cell, 56, 2014
6X2J
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BU of 6x2j by Molmil
Structure of human TRPA1 in complex with agonist GNE551
分子名称: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L, Chen, H.
登録日2020-05-20
公開日2020-11-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel.
Neuron, 109, 2021
2JTK
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BU of 2jtk by Molmil
A functional domain of a Wnt signal protein
分子名称: Dickkopf-related protein 2
著者Chen, L, Shao, Y, Huang, J, Zheng, J.
登録日2007-08-02
公開日2008-07-08
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structural insight into the mechanisms of wnt signaling antagonism by dkk
J.Biol.Chem., 283, 2008
8JWL
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BU of 8jwl by Molmil
The first purified state crystal structure of AKRtyl
分子名称: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWO
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BU of 8jwo by Molmil
Crystal structure of AKRtyl-tylosin complex
分子名称: Aldo/keto reductase, TYLOSIN
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWM
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BU of 8jwm by Molmil
Crystal structure of AKRtyl-NADP-tylosin complex
分子名称: Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TYLOSIN
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWK
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BU of 8jwk by Molmil
The second purified state crystal structure of AKRtyl
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWN
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BU of 8jwn by Molmil
Crystal structure of AKRtyl-NADPH complex
分子名称: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
1JLU
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BU of 1jlu by Molmil
Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Phosphorylated Substrate Peptide and Detergent
分子名称: AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
著者Madhusudan, Trafny, E.A, Xuong, N.-H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
登録日2001-07-16
公開日2001-08-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
1JBP
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BU of 1jbp by Molmil
Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Substrate Peptide, ADP and Detergent
分子名称: ADENOSINE-5'-DIPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN FORM, ...
著者Madhusudan, Trafny, E.A, Xuong, N.H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
登録日2001-06-06
公開日2001-06-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
8T2I
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BU of 8t2i by Molmil
Negative stain EM assembly of MYC, JAZ, and NINJA complex
分子名称: AFP homolog 2, Maltose/maltodextrin-binding periplasmic protein, Protein TIFY 10A, ...
著者Zhou, X.E, Zhang, Y, Zhou, Y, He, Q, Cao, X, Kariapper, L, Suino-Powell, K, Zhu, Y, Zhang, F, Karsten, M.
登録日2023-06-06
公開日2023-06-28
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (10.4 Å)
主引用文献Assembly of JAZ-JAZ and JAZ-NINJA complexes in jasmonate signaling.
Plant Commun., 4, 2023
6DHA
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BU of 6dha by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV)
分子名称: Hydroxy Pioglitazone (M-IV), Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Mosure, S.A, Kojetin, D.J.
登録日2018-05-18
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPAR gamma Drug Pioglitazone.
J. Med. Chem., 62, 2019
1FMO
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BU of 1fmo by Molmil
CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE
分子名称: ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN
著者Narayana, N, Cox, S, Shaltiel, S, Taylor, S.S, Xuong, N.-H.
登録日1997-07-08
公開日1998-01-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of cAMP-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine.
Biochemistry, 36, 1997
5Y83
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BU of 5y83 by Molmil
Crystal structure of YidC from Thermotoga maritima
分子名称: Membrane protein insertase YidC
著者Huang, Y, Xin, Y.
登録日2017-08-18
公開日2018-07-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.842 Å)
主引用文献Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
1L3R
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BU of 1l3r by Molmil
Crystal Structure of a Transition State Mimic of the Catalytic Subunit of cAMP-dependent Protein Kinase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
著者Madhusudan, Akamine, P, Xuong, N.-H, Taylor, S.S.
登録日2002-02-28
公開日2002-03-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a transition state mimic of the catalytic subunit of cAMP-dependent protein kinase.
Nat.Struct.Biol., 9, 2002
5Y82
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Crystal structure of the periplasmic domain of the Thermotoga maritima YidC
分子名称: Membrane protein insertase YidC
著者Huang, Y, Xin, Y.
登録日2017-08-18
公開日2018-07-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.517 Å)
主引用文献Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
分子名称: 3372H, 3372L, Spike protein S1
著者Liu, P.L.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WR8
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BU of 7wr8 by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-3152 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-3152H, BD55-3152L, ...
著者Du, S, Xiao, J.Y.
登録日2022-01-26
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRL
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Local structure of BD55-1239 Fab and SARS-COV2 Omicron RBD complex
分子名称: BD55-1239H, BD55-1239L, Spike protein S1
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022

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