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5UFR
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BU of 5ufr by Molmil
Structure of RORgt bound to
Descriptor: (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Abad, M.
Deposit date:2017-01-05
Release date:2017-04-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.068 Å)
Cite:Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
1TFB
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BU of 1tfb by Molmil
NMR STUDIES OF HUMAN GENERAL TRANSCRIPTION FACTOR TFIIB: DYNAMICS AND INTERACTION WITH VP16 ACTIVATION DOMAIN, 20 STRUCTURES
Descriptor: TFIIB
Authors:Bagby, S, Ikura, M.
Deposit date:1996-11-14
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Human general transcription factor TFIIB: conformational variability and interaction with VP16 activation domain.
Biochemistry, 37, 1998
3P0B
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BU of 3p0b by Molmil
Thermus thermophilus family GH57 branching enzyme: crystal structure, mechanism of action and products formed
Descriptor: GLYCEROL, TT1467 protein
Authors:Pijning, T, Dijkstra, B.W.
Deposit date:2010-09-28
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Thermus thermophilus GLYCOSYL HYDROLASE FAMILY 57 branching enzyme: crystal structure, mechanism of action and products formed
To be Published
7DE2
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BU of 7de2 by Molmil
iron and alpha-ketoglutarate-dependent endoperoxidase NvfI
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, NvfI, ...
Authors:Zhai, R, Mori, T, Abe, I.
Deposit date:2020-11-01
Release date:2021-07-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular insights into the endoperoxide formation by Fe(II)/ alpha-KG-dependent oxygenase NvfI.
Nat Commun, 12, 2021
5UP4
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BU of 5up4 by Molmil
Structure of the HIV-1 Capsid Protein and spacer peptide 1 by Cryo-EM
Descriptor: HIV-1 Capsid Protein and spacer peptide 1
Authors:Perilla, J.R, Schirra, R, Zhang, P, Schulten, K.
Deposit date:2017-02-01
Release date:2017-12-06
Last modified:2017-12-13
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Quenching protein dynamics interferes with HIV capsid maturation.
Nat Commun, 8, 2017
6IUK
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BU of 6iuk by Molmil
Cryo-EM structure of Murine Norovirus capsid
Descriptor: Major capsid protein VP1
Authors:Song, C, Miyazaki, N, Iwasaki, K, Katayama, K, Murata, K.
Deposit date:2018-11-28
Release date:2020-02-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Dynamic rotation of the protruding domain enhances the infectivity of norovirus.
Plos Pathog., 16, 2020
6JI1
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BU of 6ji1 by Molmil
Tetrameric PepTSo2 incorporated in salipro nano particle
Descriptor: Proton:oligopeptide symporter POT family
Authors:Kawamoto, A, Matoba, K, Takagi, J.
Deposit date:2019-02-19
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for oligomerization of the prokaryotic peptide transporter PepTSo2.
Acta Crystallogr.,Sect.F, 75, 2019
7NMZ
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BU of 7nmz by Molmil
Structure of 14-3-3 eta in complex with Nedd4-2(335-455) containing two 14-3-3 binding motifs Ser342 and Ser448
Descriptor: 14-3-3 protein eta, E3 ubiquitin-protein ligase NEDD4-like
Authors:Pohl, P, Obsil, T, Obsilova, V.
Deposit date:2021-02-23
Release date:2021-07-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:14-3-3-protein regulates Nedd4-2 by modulating interactions between HECT and WW domains.
Commun Biol, 4, 2021
7ENB
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BU of 7enb by Molmil
iron and alpha-ketoglutarate-dependent endoperoxidase NvfI with different conformation
Descriptor: FE (III) ION, N-OXALYLGLYCINE, NvfI, ...
Authors:Mori, T, Abe, I.
Deposit date:2021-04-16
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular insights into the endoperoxide formation by Fe(II)/ alpha-KG-dependent oxygenase NvfI.
Nat Commun, 12, 2021
7EMZ
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BU of 7emz by Molmil
iron and alpha-ketoglutarate-dependent endoperoxidase NvfI W199F variant
Descriptor: FE (III) ION, N-OXALYLGLYCINE, NvfI W199F, ...
Authors:Mori, T, Abe, I.
Deposit date:2021-04-15
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular insights into the endoperoxide formation by Fe(II)/ alpha-KG-dependent oxygenase NvfI.
Nat Commun, 12, 2021
7XWA
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BU of 7xwa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Suzuki, T, Kimura, K, Hashiguchi, T.
Deposit date:2022-05-26
Release date:2022-09-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron BA.2 subvariants, including BA.4 and BA.5.
Cell, 185, 2022
5XPF
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BU of 5xpf by Molmil
High-resolution X-ray structure of the T26H mutant of T4 lysozyme
Descriptor: CHLORIDE ION, Endolysin, GLYCEROL, ...
Authors:Hiromoto, T, Kuroki, R.
Deposit date:2017-06-01
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type.
Protein Sci., 26, 2017
5VA9
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BU of 5va9 by Molmil
Human pancreatic alpha amylase in complex with peptide inhibitor piHA-L5(d10Y)
Descriptor: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2017-03-24
Release date:2018-03-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic alpha-Amylase.
Acs Chem.Biol., 14, 2019
5U3A
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BU of 5u3a by Molmil
Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Caner, S, Brayer, G.D.
Deposit date:2016-12-01
Release date:2017-12-06
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic alpha-Amylase.
Acs Chem.Biol., 14, 2019
5UV5
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BU of 5uv5 by Molmil
Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
Descriptor: 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-02-19
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
5WZY
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BU of 5wzy by Molmil
Crystal structure of the P2X4 receptor from zebrafish in the presence of CTP at 2.8 Angstroms
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Kasuya, G, Hattori, M, Nureki, O.
Deposit date:2017-01-19
Release date:2017-04-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Structural insights into the nucleotide base specificity of P2X receptors
Sci Rep, 7, 2017
5GW9
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BU of 5gw9 by Molmil
Crystal structure of C163, a backbone circularized G-CSF
Descriptor: Granulocyte colony-stimulating factor
Authors:Miyafusa, T, Honda, S.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the backbone-circularized granulocyte colony-stimulating factor containing a short connector.
Biochem. Biophys. Res. Commun., 500, 2018
5GMT
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BU of 5gmt by Molmil
Crystal structure of the marine PL-14 alginate lyase from Aplysia kurodai
Descriptor: Alginate lyase
Authors:Qin, H.-M, Miyakawa, T, Nakamura, A, Tanokura, M.
Deposit date:2016-07-16
Release date:2017-01-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure and Polymannuronate Specificity of a Eukaryotic Member of Polysaccharide Lyase Family 14.
J. Biol. Chem., 292, 2017
3LH0
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BU of 3lh0 by Molmil
Crystal structure of the 53BP1 tandem tudor domain in complex with p53K372me2
Descriptor: DIMETHYLATED p53 LYSINE 372 PEPTIDE, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Roy, S, Kutateladze, T.G.
Deposit date:2010-01-21
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insight into p53 recognition by the 53BP1 tandem Tudor domain.
J.Mol.Biol., 398, 2010
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
Authors:Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
3LGF
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BU of 3lgf by Molmil
Crystal structure of the 53BP1 tandem tudor domain in complex with p53K370me2
Descriptor: DIMETHYLATED p53 Lysine 370 PEPTIDE, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Roy, S, Kutateladze, T.G.
Deposit date:2010-01-20
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insight into p53 recognition by the 53BP1 tandem Tudor domain.
J.Mol.Biol., 398, 2010
3LGL
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BU of 3lgl by Molmil
Crystal structure of the 53BP1 tandem tudor domain in complex with p53K382me2
Descriptor: DIMETHYLATED p53 LYSINE 382 PEPTIDE, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Roy, S, Kutateladze, T.G.
Deposit date:2010-01-20
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insight into p53 recognition by the 53BP1 tandem Tudor domain.
J.Mol.Biol., 398, 2010
3RM1
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BU of 3rm1 by Molmil
1.24 Angstrom X-ray structure of bovine TRTK12-Ca(2+)-S100B D63N
Descriptor: CALCIUM ION, F-actin-capping protein subunit alpha-2, Protein S100-B
Authors:Liriano, M.A, Weber, D.J.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:The effects of CapZ peptide (TRTK12) on the protein dynamics of S100B and S100B D63N
To be Published
2NLI
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BU of 2nli by Molmil
Crystal Structure of the complex between L-lactate oxidase and a substrate analogue at 1.59 angstrom resolution
Descriptor: FLAVIN MONONUCLEOTIDE, HYDROGEN PEROXIDE, LACTIC ACID, ...
Authors:Furuichi, M, Suzuki, N, Balasundaresan, D, Yoshida, Y, Minagawa, H, Watanabe, Y, Kaneko, H, Waga, I, Kumar, P.K.R, Mizuno, H.
Deposit date:2006-10-20
Release date:2007-10-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:X-ray structures of Aerococcus viridans lactate oxidase and its complex with D-lactate at pH 4.5 show an alpha-hydroxyacid oxidation mechanism
J.Mol.Biol., 378, 2008
3RLZ
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BU of 3rlz by Molmil
2.0 Angstrom X-ray structure of bovine Ca(2+)-S100B D63N
Descriptor: CALCIUM ION, Protein S100-B
Authors:Liriano, M.A, Weber, D.J.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The effects of CapZ peptide (TRTK12) on the protein dynamics of S100B and S100B D63N
To be Published

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