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5T8Q
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BU of 5t8q by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to aryl pyrrole fragment 17
Descriptor: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A, Hymowitz, S.G.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5T8F
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BU of 5t8f by Molmil
p110delta/p85alpha with taselisib (GDC-0032)
Descriptor: 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Moertl, M, Steinbacher, S, Eigenbrot, C.
Deposit date:2016-09-07
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5T8O
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BU of 5t8o by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3
Descriptor: 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P, Hymowitz, S.G.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5T8P
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BU of 5t8p by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2
Descriptor: 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
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
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
3WDZ
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BU of 3wdz by Molmil
Crystal Structure of Keap1 in Complex with phosphorylated p62
Descriptor: Kelch-like ECH-associated protein 1, Peptide from Sequestosome-1
Authors:Fukutomi, T, Takagi, K, Mizushima, T, Tanaka, K, Komatsu, M, Yamamoto, M.
Deposit date:2013-06-26
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Phosphorylation of p62 activates the Keap1-Nrf2 pathway during selective autophagy.
Mol.Cell, 51, 2013
5UFO
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BU of 5ufo by Molmil
Structure of RORgt bound to
Descriptor: (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J.
Deposit date:2017-01-05
Release date:2017-04-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
5UHI
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BU of 5uhi by Molmil
Structure of RORgt bound to
Descriptor: (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Abad, M.
Deposit date:2017-01-11
Release date:2017-04-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
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
2L4J
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BU of 2l4j by Molmil
Yap ww2
Descriptor: Yes-associated protein 2 (YAP2)
Authors:Webb, C, Upadhyay, A, Furutani-Seiki, M, Bagby, S.
Deposit date:2010-10-07
Release date:2010-11-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Features and Ligand Binding Properties of Tandem WW Domains from YAP and TAZ, Nuclear Effectors of the Hippo Pathway.
Biochemistry, 50, 2011
2W1B
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BU of 2w1b by Molmil
The structure of the efflux pump AcrB in complex with bile acid
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACRIFLAVIN RESISTANCE PROTEIN B
Authors:Drew, D, Klepsch, M.M, Newstead, S, Flaig, R, De Gier, J.W, Iwata, S, Beis, K.
Deposit date:2008-10-17
Release date:2008-12-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:The Structure of the Efflux Pump Acrb in Complex with Bile Acid.
Mol.Membr.Biol., 25, 2008
2MWO
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BU of 2mwo by Molmil
Solution structure of 53BP1 tandem Tudor domains in complex with a p53K370me2 peptide
Descriptor: Cellular tumor antigen p53, Tumor suppressor p53-binding protein 1
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2014-11-15
Release date:2014-12-10
Last modified:2015-03-18
Method:SOLUTION NMR
Cite:Structural Plasticity of Methyllysine Recognition by the Tandem Tudor Domain of 53BP1.
Structure, 23, 2015
2K8F
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BU of 2k8f by Molmil
Structural Basis for the Regulation of p53 Function by p300
Descriptor: Cellular tumor antigen p53, Histone acetyltransferase p300
Authors:Bai, Y, Feng, H, Jenkins, L.M, Durell, S.R, Wiodawer, A, Appella, E.
Deposit date:2008-09-08
Release date:2009-03-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Basis for p300 Taz2-p53 TAD1 Binding and Modulation by Phosphorylation.
Structure, 17, 2009
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
2MWP
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BU of 2mwp by Molmil
Solution structure of 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide
Descriptor: Cellular tumor antigen p53, Tumor suppressor p53-binding protein 1
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2014-11-15
Release date:2014-12-10
Last modified:2015-03-18
Method:SOLUTION NMR
Cite:Structural Plasticity of Methyllysine Recognition by the Tandem Tudor Domain of 53BP1.
Structure, 23, 2015
2ZTN
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BU of 2ztn by Molmil
Hepatitis E virus ORF2 (Genotype 3)
Descriptor: Capsid protein
Authors:Yamashita, T, Unno, H, Mori, Y, Li, T.C, Takeda, N, Matsuura, Y.
Deposit date:2008-10-08
Release date:2009-08-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.56 Å)
Cite:Biological and immunological characteristics of hepatitis E virus-like particles based on the crystal structure
Proc.Natl.Acad.Sci.USA, 106, 2009
3VLF
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BU of 3vlf by Molmil
Crystal structure of yeast proteasome interacting protein
Descriptor: 26S protease regulatory subunit 7 homolog, DNA mismatch repair protein HSM3
Authors:Takagi, K, Kim, S, Kato, K, Tanaka, K, Saeki, Y, Mizushima, T.
Deposit date:2011-12-01
Release date:2012-02-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis for specific recognition of Rpt1, an ATPase subunit of the 26S proteasome, by a proteasome-dedicated chaperone Hsm3
J.Biol.Chem., 287, 2012
3VLE
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BU of 3vle by Molmil
Crystal structure of yeast proteasome interacting protein
Descriptor: DNA mismatch repair protein HSM3
Authors:Takagi, K, Kim, S, Kato, K, Tanaka, K, Saeki, Y, Mizushima, T.
Deposit date:2011-12-01
Release date:2012-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural basis for specific recognition of Rpt1, an ATPase subunit of the 26S proteasome, by a proteasome-dedicated chaperone Hsm3
J.Biol.Chem., 287, 2012
3VOC
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BU of 3voc by Molmil
Crystal structure of the catalytic domain of beta-amylase from paenibacillus polymyxa
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta/alpha-amylase, ...
Authors:Nishimura, S, Fujioka, T, Nakaniwa, T, Tada, T.
Deposit date:2012-01-21
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis by X-ray crystallography and small-angle scattering of the multi-domain beta-amylase from Paenibacillus polymyxa
To be Published
3VLD
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BU of 3vld by Molmil
Crystal structure of yeast proteasome interacting protein
Descriptor: DNA mismatch repair protein HSM3
Authors:Takagi, K, Kim, S, Kato, K, Tanaka, K, Saeki, Y, Mizushima, T.
Deposit date:2011-12-01
Release date:2012-02-22
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for specific recognition of Rpt1, an ATPase subunit of the 26S proteasome, by a proteasome-dedicated chaperone Hsm3
J.Biol.Chem., 287, 2012
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
2ZFA
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BU of 2zfa by Molmil
Structure of Lactate Oxidase at pH4.5 from AEROCOCCUS VIRIDANS
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Lactate oxidase
Authors:Furuichi, M, Balasundaresan, D, Suzuki, N, Yoshida, Y, Minagawa, H, Kaneko, H, Waga, I, Kumar, P.K.R, Mizuno, H.
Deposit date:2007-12-26
Release date:2008-04-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.81 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
1CNP
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BU of 1cnp by Molmil
THE STRUCTURE OF CALCYCLIN REVEALS A NOVEL HOMODIMERIC FOLD FOR S100 CA2+-BINDING PROTEINS, NMR, 22 STRUCTURES
Descriptor: CALCYCLIN (RABBIT, APO)
Authors:Potts, B.C.M, Smith, J, Akke, M, Macke, T.J, Okazaki, K, Hidaka, H, Case, D.A, Chazin, W.J.
Deposit date:1995-08-31
Release date:1996-10-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The structure of calcyclin reveals a novel homodimeric fold for S100 Ca(2+)-binding proteins.
Nat.Struct.Biol., 2, 1995
1BOO
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BU of 1boo by Molmil
PVUII DNA METHYLTRANSFERASE (CYTOSINE-N4-SPECIFIC)
Descriptor: PROTEIN (N-4 CYTOSINE-SPECIFIC METHYLTRANSFERASE PVU II), S-ADENOSYL-L-HOMOCYSTEINE
Authors:Gong, W, O'Gara, M, Blumenthal, R.M, Cheng, X.
Deposit date:1998-07-31
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of pvu II DNA-(cytosine N4) methyltransferase, an example of domain permutation and protein fold assignment.
Nucleic Acids Res., 25, 1997

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