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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
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-06-19
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-04-22
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Merlin, ...
Authors:Chinthalapudi, K, Sharff, A.J, Bricogne, G, Izard, T.
Deposit date:2018-02-09
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.62 Å)
Cite: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)
Descriptor: (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, ...
Authors:Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L.
Deposit date:2020-04-21
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 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, ...
Authors:Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X.
Deposit date:2023-08-17
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite: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
Descriptor: 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
Authors:Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
Deposit date:2019-11-22
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Anaphase-promoting complex subunit 11, ZINC ION
Authors: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.
Deposit date:2014-08-13
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.755 Å)
Cite: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
Descriptor: 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
Authors:Rohou, A, Rouge, L, Chen, H.
Deposit date:2020-05-20
Release date:2020-11-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: Dickkopf-related protein 2
Authors:Chen, L, Shao, Y, Huang, J, Zheng, J.
Deposit date:2007-08-02
Release date:2008-07-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite: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
Descriptor: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Aldo/keto reductase, TYLOSIN
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TYLOSIN
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite: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
Descriptor: Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2023-06-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
Authors:Madhusudan, Trafny, E.A, Xuong, N.-H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
Deposit date:2001-07-16
Release date:2001-08-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN FORM, ...
Authors:Madhusudan, Trafny, E.A, Xuong, N.H, Adams, J.A, Ten Eyck, L.F, Taylor, S.S, Sowadski, J.M.
Deposit date:2001-06-06
Release date:2001-06-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: AFP homolog 2, Maltose/maltodextrin-binding periplasmic protein, Protein TIFY 10A, ...
Authors:Zhou, X.E, Zhang, Y, Zhou, Y, He, Q, Cao, X, Kariapper, L, Suino-Powell, K, Zhu, Y, Zhang, F, Karsten, M.
Deposit date:2023-06-06
Release date:2023-06-28
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (10.4 Å)
Cite: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)
Descriptor: Hydroxy Pioglitazone (M-IV), Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Mosure, S.A, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN
Authors:Narayana, N, Cox, S, Shaltiel, S, Taylor, S.S, Xuong, N.-H.
Deposit date:1997-07-08
Release date:1998-01-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Membrane protein insertase YidC
Authors:Huang, Y, Xin, Y.
Deposit date:2017-08-18
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.842 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
Authors:Madhusudan, Akamine, P, Xuong, N.-H, Taylor, S.S.
Deposit date:2002-02-28
Release date:2002-03-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 5y82 by Molmil
Crystal structure of the periplasmic domain of the Thermotoga maritima YidC
Descriptor: Membrane protein insertase YidC
Authors:Huang, Y, Xin, Y.
Deposit date:2017-08-18
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.517 Å)
Cite: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
Descriptor: 3372H, 3372L, Spike protein S1
Authors:Liu, P.L.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: 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, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2022-01-26
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRL
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BU of 7wrl by Molmil
Local structure of BD55-1239 Fab and SARS-COV2 Omicron RBD complex
Descriptor: BD55-1239H, BD55-1239L, Spike protein S1
Authors:Zhang, Z.Z, Xiao, J.J.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022

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