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8Q1F
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D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with native beta-glucose 1,6-bisphosphate intermediate
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-glucopyranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P.
登録日2023-07-31
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
2FF2
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BU of 2ff2 by Molmil
Crystal structure of Trypanosoma vivax nucleoside hydrolase co-crystallized with ImmucillinH
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, IAG-nucleoside hydrolase, ...
著者Versees, W, Barlow, J, Steyaert, J.
登録日2005-12-18
公開日2006-05-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Transition-state Complex of the Purine-specific Nucleoside Hydrolase of T.vivax: Enzyme Conformational Changes and Implications for Catalysis.
J.Mol.Biol., 359, 2006
3B7E
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BU of 3b7e by Molmil
Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain in complex with zanamivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Xu, X, Zhu, X, Wilson, I.A.
登録日2007-10-30
公開日2008-10-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural characterization of the 1918 influenza virus H1N1 neuraminidase
J.Virol., 82, 2008
8Q1E
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D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with fructose 1,6-bisphosphate
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, Beta-phosphoglucomutase, ...
著者Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P.
登録日2023-07-31
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase.
Commun Biol, 7, 2024
2F5U
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BU of 2f5u by Molmil
Structural Characterization of the UL25 DNA Packaging Protein from Herpes Simplex Virus Type 1
分子名称: Virion protein UL25
著者Bowman, B.R.
登録日2005-11-27
公開日2006-02-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of the UL25 DNA-packaging protein from herpes simplex virus type 1
J.Virol., 80, 2006
3VXO
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BU of 3vxo by Molmil
HLA-A24 in complex with HIV-1 Nef134-10(2F)
分子名称: 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A.
登録日2012-09-20
公開日2013-10-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection
SCI REP, 3, 2013
2FCX
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HIV-1 DIS kissing-loop in complex with neamine
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CHLORIDE ION, HIV-1 DIS RNA, ...
著者Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P.
登録日2005-12-13
公開日2006-05-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell.
Nucleic Acids Res., 34, 2006
2PWR
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HIV-1 protease in complex with a carbamoyl decorated pyrrolidine-based inhibitor
分子名称: 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE, CHLORIDE ION, GLYCEROL, ...
著者Boettcher, B, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-05-12
公開日2008-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
2PWY
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Crystal Structure of a m1A58 tRNA methyltransferase
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tRNA (adenine-N(1)-)-methyltransferase
著者Barraud, P, Golinelli-Pimpaneau, B, Tisne, C.
登録日2007-05-14
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Thermus thermophilus tRNA m(1)A(58) Methyltransferase and Biophysical Characterization of Its Interaction with tRNA.
J.Mol.Biol., 377, 2008
2FLG
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BU of 2flg by Molmil
Solution structure of an EGF-LIKE domain from the Plasmodium falciparum merozoite surface protein 1
分子名称: Merozoite surface protein 1
著者James, S, Moehle, K, Pluschke, G, Robinson, J.
登録日2006-01-06
公開日2006-02-21
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Synthesis, solution structure and immune recognition of an epidermal growth factor-like domain from Plasmodium falciparum merozoite surface protein-1.
Chembiochem, 7, 2006
4L7G
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Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1)
分子名称: (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
3W8Q
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Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1)
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Nakae, S, Kitamura, M, Shirai, T, Tada, T.
登録日2013-03-20
公開日2014-03-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of mitogen-activated protein kinase kinase 1 in the DFG-out conformation.
Acta Crystallogr.,Sect.F, 77, 2021
3WE4
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BU of 3we4 by Molmil
Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative PF-4708671 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole
分子名称: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, Ribosomal protein S6 kinase beta-1, ZINC ION
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-06-29
公開日2014-08-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
6UXI
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Structure of serine hydroxymethyltransferase 8 from Glycine max cultivar Essex complexed with PLP-Glycine
分子名称: 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase
著者Korasick, D.A, Tanner, J.J, Beamer, L.J.
登録日2019-11-07
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Impaired folate binding of serine hydroxymethyltransferase 8 from soybean underlies resistance to the soybean cyst nematode.
J.Biol.Chem., 295, 2020
6CBU
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BU of 6cbu by Molmil
Crystal structure of C4S3: A computationally designed immunogen to target Carbohydrate-Occluded Epitopes on the HIV envelope
分子名称: Acylphosphatase-1, SULFATE ION
著者Zhu, C, Ke, H.M, Swanstrom, R, Dokholyan, N.V.
登録日2018-02-05
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Rationally designed carbohydrate-occluded epitopes elicit HIV-1 Env-specific antibodies.
Nat Commun, 10, 2019
2FMB
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EIAV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130
分子名称: 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE
著者Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A.
登録日1998-07-13
公開日1999-01-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV.
Protein Sci., 7, 1998
8XGG
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Human Cx36/GJD2 gap junction channel in complex with 1-hexanol.
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein, HEXAN-1-OL
著者Cho, H.J, Lee, H.H.
登録日2023-12-15
公開日2024-11-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mefloquine-induced conformational shift in Cx36 N-terminal helix leading to channel closure mediated by lipid bilayer.
Nat Commun, 15, 2024
6CQD
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Crystal structure of HPK1 in complex with ATP analogue (AMPPNP)
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W.
登録日2018-03-14
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
9IAC
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Structure of the Argonaute-associated Cas4 family protein 1 (ACE1) from Microcystis aeruginosa (MaACE1)
分子名称: 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Bobadilla Ugarte, P, Halter, S, Jinek, M, Swarts, D.C.
登録日2025-02-09
公開日2025-04-23
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Cyanobacterial Argonautes and Cas4 family nucleases cooperate to interfere with invading DNA.
Mol.Cell, 85, 2025
6UXJ
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Structure of serine hydroxymethyltransferase 8 from Glycine max cultivar Essex complexed with PLP-glycine and 5-formyltetrahydrofolate
分子名称: 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ...
著者Korasick, D.A, Tanner, J.J, Beamer, L.J.
登録日2019-11-07
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Impaired folate binding of serine hydroxymethyltransferase 8 from soybean underlies resistance to the soybean cyst nematode.
J.Biol.Chem., 295, 2020
2PWO
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Crystal Structure of HIV-1 CA146 A92E Psuedo Cell
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol)
著者Kelly, B.N.
登録日2007-05-11
公開日2007-09-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
2FF0
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Solution Structure of Steroidogenic Factor 1 DNA Binding Domain Bound to its Target Sequence in the Inhibin alpha-subunit Promoter
分子名称: CTGTGGCCCTGAGCC, GGCTCAGGGCCACAG, Steroidogenic factor 1, ...
著者Little, T.H, Zhang, Y, Matulis, C.K, Weck, J, Zhang, Z, Ramachandran, A, Mayo, K.E, Radhakrishnan, I.
登録日2005-12-17
公開日2006-04-11
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Sequence-specific deoxyribonucleic Acid (DNA) recognition by steroidogenic factor 1: a helix at the carboxy terminus of the DNA binding domain is necessary for complex stability.
Mol.Endocrinol., 20, 2006
3BEQ
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Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Xu, X, Zhu, X, Wilson, I.A.
登録日2007-11-19
公開日2008-09-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural characterization of the 1918 influenza virus H1N1 neuraminidase
J.Virol., 82, 2008
8XER
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Cryo-EM structure of integrin ITGAV, ITGB3 and Cilengitide TFA complex, conformation 1
分子名称: 2-[(2~{R},5~{R},8~{S},11~{S})-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid, Integrin alpha-V, Integrin beta-3
著者Xi, Z.
登録日2023-12-12
公開日2024-12-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structure of integrin ITGAV, ITGB3 and Cilengitide TFA complex, conformation 1
To Be Published
8XFG
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Cryo-EM structure of integrin ITGAV, ITGB3 and CYCLO (RGDFK) complex, conformation 1
分子名称: 2-[(2~{R},5~{R},8~{S},11~{S})-8-(4-azanylbutyl)-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid, Integrin alpha-V, Integrin beta-3
著者Xi, Z.
登録日2023-12-13
公開日2024-12-18
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structure of integrin ITGAV, ITGB3 and CYCLO (RGDFK) complex, conformation 1
To Be Published

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