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6MOG
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BU of 6mog by Molmil
Dimeric DARPin C_R3
分子名称: 1,2-ETHANEDIOL, DARPin C_R3, TRIETHYLENE GLYCOL
著者Jude, K.M, Mohan, K, Garcia, K.C.
登録日2018-10-04
公開日2019-06-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
6MGI
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BU of 6mgi by Molmil
Photosynthetic phosphoenolpyruvate carboxylase isoenzyme from maize complexed with the allosteric activator glucose-6-phosphate in its allosteric site
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCOLIC ACID, 6-O-phosphono-alpha-D-glucopyranose, ...
著者Gonzalez-Segura, L, Munoz-Clares, R.A.
登録日2018-09-13
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.986 Å)
主引用文献Structural and biochemical evidence of the glucose 6-phosphate-allosteric site of maize C4-phosphoenolpyruvate carboxylase: its importance in the overall enzyme kinetics.
Biochem.J., 477, 2020
6MKK
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BU of 6mkk by Molmil
Crystallographic solvent mapping analysis of DMSO/Mg bound to APE1
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase, ...
著者Georgiadis, M.M, He, H, Chen, Q.
登録日2018-09-25
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.442 Å)
主引用文献Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
4G1F
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BU of 4g1f by Molmil
Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, ...
著者Skene, R.J, Gwaltney, S.L.
登録日2012-07-10
公開日2013-02-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4G3F
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BU of 4g3f by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 2-(aminothiazoly)phenol (cmp2)
分子名称: 3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile, NF-kappa-beta-inducing kinase
著者Hymowitz, S.G, de Leon-Boenig, G.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4GAX
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BU of 4gax by Molmil
Crystal Structure of an alpha-Bisabolol synthase mutant
分子名称: Amorpha-4,11-diene synthase
著者Li, J, Peng, Z.
登録日2012-07-26
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9948 Å)
主引用文献Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency.
Biochem.J., 451, 2013
4G5G
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BU of 4g5g by Molmil
ef-tu (Escherichia coli) complexed with nvp-ldu796
分子名称: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Palestrant, D.
登録日2012-07-17
公開日2012-12-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antibiotic optimization and chemical structure stabilization of thiomuracin A.
J.Med.Chem., 55, 2012
3QLH
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BU of 3qlh by Molmil
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
分子名称: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
著者Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
登録日2011-02-02
公開日2011-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
4G3D
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BU of 4g3d by Molmil
Crystal structure of human NF-kappaB inducing kinase (NIK)
分子名称: MAGNESIUM ION, NF-kappa-beta-inducing kinase
著者Hymowitz, S.G, de Leon-Boenig, G.
登録日2012-07-13
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4GG6
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BU of 4gg6 by Molmil
Protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ...
著者Broughton, S.E, Theodossis, A, Petersen, J, Reid, H.H, Rossjohn, J.
登録日2012-08-06
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Biased T cell receptor usage directed against human leukocyte antigen DQ8-restricted gliadin peptides is associated with celiac disease.
Immunity, 37, 2012
4GEW
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BU of 4gew by Molmil
Crystal structure of TDP2 from C. elegans
分子名称: 5'-tyrosyl-DNA phosphodiesterase, GLYCEROL
著者Shi, K, Kurahashi, K, Aihara, H.
登録日2012-08-02
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2.
Nat.Struct.Mol.Biol., 19, 2012
4FVA
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BU of 4fva by Molmil
Crystal structure of truncated Caenorhabditis elegans TDP2
分子名称: 1,2-ETHANEDIOL, 5'-tyrosyl-DNA phosphodiesterase, MAGNESIUM ION, ...
著者Shi, K, Kurahashi, K, Aihara, H.
登録日2012-06-29
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2.
Nat.Struct.Mol.Biol., 19, 2012
4FXL
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BU of 4fxl by Molmil
Crystal structure of the D76N Beta-2 Microglobulin mutant
分子名称: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Ricagno, S, Bellotti, V, Pepys, M.B, Stoppini, M, Bolognesi, M.
登録日2012-07-03
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Hereditary systemic amyloidosis due to Asp76Asn variant beta-2-microglobulin.
N.Engl.J.Med., 366, 2012
4GG8
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BU of 4gg8 by Molmil
Immune Receptor
分子名称: T-CELL RECEPTOR, SP3.4 ALPHA CHAIN, SP3.4 BETA CHAIN, ...
著者Broughton, S.E, Theodossis, A, Petersen, J, Reid, H.H, Rossjohn, J.
登録日2012-08-06
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Biased T cell receptor usage directed against human leukocyte antigen DQ8-restricted gliadin peptides is associated with celiac disease.
Immunity, 37, 2012
4GGZ
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BU of 4ggz by Molmil
The structure of bradavidin2-biotin complex
分子名称: BIOTIN, Bradavidin 2
著者Livnah, O, Meir, A.
登録日2012-08-07
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The highly dynamic oligomeric structure of bradavidin II is unique among avidin proteins.
Protein Sci., 22, 2013
3NF6
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BU of 3nf6 by Molmil
Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
分子名称: 1,2-ETHANEDIOL, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ...
著者Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D.
登録日2010-06-09
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
4FT2
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BU of 4ft2 by Molmil
crystal structure of Zea mays ZMET2 in complex H3(1-15)K9me2 peptide and SAH
分子名称: DNA (cytosine-5)-methyltransferase 1, H3 peptide, S-ADENOSYL-L-HOMOCYSTEINE
著者Du, J, Patel, D.J.
登録日2012-06-27
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012
3NF9
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BU of 3nf9 by Molmil
Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
分子名称: 1,2-ETHANEDIOL, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ...
著者Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D.
登録日2010-06-10
公開日2011-04-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
4G3C
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BU of 4g3c by Molmil
Crystal structure of apo murine Nf-kappaB inducing kinase (NIK)
分子名称: NF-kappa-beta-inducing kinase, SULFATE ION
著者Hymowitz, S.G, de Leon-Boenig, G.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4GGR
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BU of 4ggr by Molmil
The structure of apo bradavidin2 (Form A)
分子名称: Bradavidin 2
著者Livnah, O, Meir, A.
登録日2012-08-07
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The highly dynamic oligomeric structure of bradavidin II is unique among avidin proteins.
Protein Sci., 22, 2013
4GGT
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BU of 4ggt by Molmil
Structure of apo Bradavidin2 (Form B)
分子名称: Bradavidin 2
著者Livnah, O, Meir, A.
登録日2012-08-07
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献The highly dynamic oligomeric structure of bradavidin II is unique among avidin proteins.
Protein Sci., 22, 2013
4GLR
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BU of 4glr by Molmil
Structure of the anti-ptau Fab (pT231/pS235_1) in complex with phosphoepitope pT231/pS235
分子名称: PHOSPHATE ION, anti-ptau heavy chain, anti-ptau light chain, ...
著者Tu, C, Mosyak, L, Bard, J.
登録日2012-08-14
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Ultra-specific Avian Antibody to Phosphorylated Tau Protein Reveals a Unique Mechanism for Phosphoepitope Recognition.
J.Biol.Chem., 287, 2012
4GMR
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Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR266.
分子名称: NITRATE ION, OR266 DE NOVO PROTEIN
著者Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Mao, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-08-16
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.377 Å)
主引用文献Computational design of self-assembling cyclic protein homo-oligomers.
NAT.CHEM., 9, 2017
4GMB
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Crystal structure of human WD repeat domain 5 with compound MM-402
分子名称: MM-402, WD repeat-containing protein 5
著者Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
登録日2012-08-15
公開日2014-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.781 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
4GP4
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Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133F from Thermus thermophilus
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Li, Y, Chen, Y, Stout, C.D.
登録日2012-08-20
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases.
Biochemistry, 52, 2013

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