4OT9
 
 | | crystal structure of the C-terminal domain of p100/NF-kB2 | | Descriptor: | Nuclear factor NF-kappa-B p100 subunit, SULFATE ION | | Authors: | Tao, Z.H, Huang, D.B, Fusco, A, Gupta, K, Ware, C.F, Duynne, G.V. | | Deposit date: | 2014-02-13 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | p100/I kappa B delta sequesters and inhibits NF-kappa B through kappaBsome formation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2LEH
 | | Solution structure of the core SMN-Gemin2 complex | | Descriptor: | Survival motor neuron protein, Survival of motor neuron protein-interacting protein 1 | | Authors: | Sarachan, K.L, Valentine, K, Gupta, K, Moorman, V, Gledhill, J, Bernens, M, Tommos, C, Wand, A.J, Van Duyne, G. | | Deposit date: | 2011-06-15 | | Release date: | 2012-06-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the core SMN-Gemin2 complex.
Biochem.J., 445, 2012
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2M61
 | | NMR and Mass Spectrometric Studies of M-2 Branch Mini-M Conotoxins from Indian Cone Snails | | Descriptor: | Conotoxin Ar1446 | | Authors: | Sarma, S.P, Rajesh, R.P, Kumar, G.S, Sudarslal, S, Sabareesh, V, Gowd, K.H, Gupta, K, Krishnan, K.S, Balaram, P. | | Deposit date: | 2013-03-18 | | Release date: | 2014-04-16 | | Method: | SOLUTION NMR | | Cite: | NMR and Mass Spectrometric Studies of M-2 Branch Mini-M Conotoxins from Indian Cone Snails
To be Published
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1HT5
 | | THE 2.75 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH METHYL ESTER FLURBIPROFEN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN METHYL ESTER, PROSTAGLANDIN H2 SYNTHASE-1, ... | | Authors: | Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J. | | Deposit date: | 2000-12-28 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
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1HT8
 | | THE 2.7 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH ALCLOFENAC | | Descriptor: | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROSTAGLANDIN H2 SYNTHASE-1, ... | | Authors: | Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J. | | Deposit date: | 2000-12-29 | | Release date: | 2001-04-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
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1P4W
 | | Solution structure of the DNA-binding domain of the Erwinia amylovora RcsB protein | | Descriptor: | rcsB | | Authors: | Pristovsek, P, Sengupta, K, Loehr, F, Schaefer, B, Wehland von Trebra, M, Rueterjans, H, Bernhard, F. | | Deposit date: | 2003-04-24 | | Release date: | 2003-06-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of the DNA-binding domain of the Erwinia amylovora RcsB protein and its interaction with the RcsAB box.
J.Biol.Chem., 278, 2003
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5HRR
 | | HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002 | | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | Authors: | Nolte, R.T. | | Deposit date: | 2016-01-24 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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5HRP
 | | HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002 | | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | Authors: | Nolte, R.T. | | Deposit date: | 2016-01-24 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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5HRS
 | | HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002 | | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | Authors: | Nolte, R.T. | | Deposit date: | 2016-01-24 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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5HRN
 | | HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002 | | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | Authors: | Nolte, R.T. | | Deposit date: | 2016-01-23 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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3BVP
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6V0K
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8EAX
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8C9N
 | | MiniCoV-ADDomer, a SARS-CoV-2 epitope presenting viral like particle | | Descriptor: | Penton protein | | Authors: | Bufton, J.C, Capin, J, Boruku, U, Garzoni, F, Schaffitzel, C, Berger, I. | | Deposit date: | 2023-01-23 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (2.36 Å) | | Cite: | In vitro generated antibodies guide thermostable ADDomer nanoparticle design for nasal vaccination and passive immunization against SARS-CoV-2.
Antib Ther, 6, 2023
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7QUR
 | | SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry | | Descriptor: | 2,3,5-tris(iodanyl)benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Naismith, J.H, Yang, Y, Liu, J.W. | | Deposit date: | 2022-01-18 | | Release date: | 2022-06-01 | | Last modified: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (2.27 Å) | | Cite: | Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
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7QUS
 | | SARS-CoV-2 Spike, C3 symmetry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Naismith, J.H, Yang, Y, Liu, J.W. | | Deposit date: | 2022-01-18 | | Release date: | 2022-06-08 | | Last modified: | 2022-08-03 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
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5JHQ
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8RQN
 | | Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Thyroid hormone receptor beta | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
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8RQO
 | | Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Isoform Alpha-1 of Thyroid hormone receptor alpha, SULFATE ION | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
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8EDV
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4GLI
 | | Crystal Structure of Human SMN YG-Dimer | | Descriptor: | Maltose-binding periplasmic protein, Survival motor neuron protein chimera | | Authors: | Martin, R.S, Perry, K, Van Duyne, G.D. | | Deposit date: | 2012-08-14 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | The survival motor neuron protein forms soluble glycine zipper oligomers.
Structure, 20, 2012
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6WXQ
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6N1K
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5G5J
 | | Crystal structure of human CYP3A4 bound to metformin | | Descriptor: | CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I. | | Deposit date: | 2016-05-25 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
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6F3T
 | | Crystal structure of the human TAF5-TAF6-TAF9 complex | | Descriptor: | CHLORIDE ION, Transcription initiation factor TFIID subunit 5, Transcription initiation factor TFIID subunit 6, ... | | Authors: | Haffke, M, Berger, I. | | Deposit date: | 2017-11-28 | | Release date: | 2018-12-05 | | Last modified: | 2018-12-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Chaperonin CCT checkpoint function in basal transcription factor TFIID assembly.
Nat. Struct. Mol. Biol., 25, 2018
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