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1AZY
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BU of 1azy by Molmil
STRUCTURAL AND THEORETICAL STUDIES SUGGEST DOMAIN MOVEMENT PRODUCES AN ACTIVE CONFORMATION OF THYMIDINE PHOSPHORYLASE
分子名称: THYMIDINE PHOSPHORYLASE
著者Pugmire, M.J, Cook, W.J, Jasanoff, A, Walter, M.R, Ealick, S.E.
登録日1997-11-24
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and theoretical studies suggest domain movement produces an active conformation of thymidine phosphorylase.
J.Mol.Biol., 281, 1998
6RPA
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BU of 6rpa by Molmil
Crystal structure of the T-cell receptor NYE_S2 bound to HLA A2*01-SLLMWITQV
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
登録日2019-05-14
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
6RVU
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BU of 6rvu by Molmil
Crystal structure of the Burkholderia Lethal Factor 1 (BLF1)
分子名称: 1,2-ETHANEDIOL, Lethal Factor 1 (BLF1)
著者Mobbs, G.W, Aziz, A.A, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W.
登録日2019-06-01
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
1IIK
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BU of 1iik by Molmil
CRYSTAL STRUCTURE OF THE TRANSTHYRETIN MUTANT TTR Y114C-DATA COLLECTED AT CRYO TEMPERATURE
分子名称: BETA-MERCAPTOETHANOL, TRANSTHYRETIN
著者Eneqvist, T, Olofsson, A, Ando, Y, Lundgren, E, Sauer-Eriksson, A.E.
登録日2001-04-23
公開日2002-11-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Disulfide-Bond Formation in the Transthyretin Mutant Y114C Prevents Amyloid Fibril Formation in Vivo and in Vitro
Biochemistry, 41, 2002
4HKP
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BU of 4hkp by Molmil
Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N3-oxide
分子名称: 5-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ...
著者To, T.K, Kotra, L.P, Pai, E.F.
登録日2012-10-15
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist.
J.Med.Chem., 55, 2012
6RXA
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BU of 6rxa by Molmil
EDDS lyase variant D290M/Y320M with bound formate
分子名称: Argininosuccinate lyase, FORMIC ACID, GLYCEROL, ...
著者Grandi, E, Poelarends, G.J, Thunnissen, A.M.W.H.
登録日2019-06-07
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Engineered C-N Lyase: Enantioselective Synthesis of Chiral Synthons for Artificial Dipeptide Sweeteners.
Angew.Chem.Int.Ed.Engl., 59, 2020
6LMQ
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BU of 6lmq by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid
分子名称: (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase catalytic, SULFATE ION, ...
著者Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T.
登録日2019-12-26
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
6LMI
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BU of 6lmi by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid
分子名称: (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase catalytic, ...
著者Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T.
登録日2019-12-25
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
3E3L
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BU of 3e3l by Molmil
The R-state Glycogen Phosphorylase
分子名称: Glycogen phosphorylase, muscle form, SULFATE ION
著者Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-08-07
公開日2009-02-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Glycogen phosphorylase revisited: extending the resolution of the R- and T-state structures of the free enzyme and in complex with allosteric activators.
Acta Crystallogr.,Sect.F, 77, 2021
5E8F
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BU of 5e8f by Molmil
Structure of Fully modified geranylgeranylated PDE6C Peptide in complex with PDE6D
分子名称: Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha', GERAN-8-YL GERAN, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Fansa, E.K, O'Reilly, N.J, Ismail, S.A, Wittinghofer, A.
登録日2015-10-14
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The N- and C-terminal ends of RPGR can bind to PDE6 delta.
Embo Rep., 16, 2015
1OT3
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BU of 1ot3 by Molmil
Crystal structure of Drosophila deoxyribonucleotide kinase complexed with the substrate deoxythymidine
分子名称: Deoxyribonucleoside Kinase, SULFATE ION, THYMIDINE
著者Mikkelsen, N.E, Johansson, K, Karlsson, A, Knecht, W, Andersen, G, Piskur, J, Munch-Petersen, B, Eklund, H.
登録日2003-03-21
公開日2003-05-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Feedback Inhibition of the Deoxyribonucleoside Salvage Pathway: Studies of the Drosophila Deoxyribonucleoside Kinase.
Biochemistry, 42, 2003
8HUA
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BU of 8hua by Molmil
Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Ghosh, S, Zoric, D, Bjelcic, M, Johannesson, J, Sandelin, E, Branden, G, Neutze, R.
登録日2022-12-22
公開日2023-03-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography.
J.Appl.Crystallogr., 56, 2023
6RTL
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BU of 6rtl by Molmil
BACTERIOPHAGE SPP1 PROCAPSID-II PROTEIN
分子名称: Major capsid protein
著者Ignatiou, A, Brasiles, S, El Sadek, M, Buerger, J, Mielke, T, Topf, M, Tavares, P.
登録日2019-05-24
公開日2019-10-23
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural transitions during the scaffolding-driven assembly of a viral capsid.
Nat Commun, 10, 2019
4HSI
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BU of 4hsi by Molmil
Glycoprotein B from Herpes simplex virus type 1, A504P/R505G/Q507G/N511G mutant, low-pH
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, CHLORIDE ION, ...
著者Heldwein, E.E.
登録日2012-10-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Extensive Mutagenesis of the HSV-1 gB Ectodomain Reveals Remarkable Stability of Its Postfusion Form.
J.Mol.Biol., 425, 2013
6RXV
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BU of 6rxv by Molmil
Cryo-EM structure of the 90S pre-ribosome (Kre33-Noc4) from Chaetomium thermophilum, state B2
分子名称: 35S ribosomal RNA, 40S ribosomal protein S1, 40S ribosomal protein S11-like protein, ...
著者Cheng, J, Kellner, N, Griesel, S, Berninghausen, O, Beckmann, R, Hurt, E.
登録日2019-06-10
公開日2019-08-14
最終更新日2019-10-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Thermophile 90S Pre-ribosome Structures Reveal the Reverse Order of Co-transcriptional 18S rRNA Subdomain Integration.
Mol.Cell, 75, 2019
5L5O
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BU of 5l5o by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 16
分子名称: (2~{S})-3-(1~{H}-indol-3-yl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Groll, M, Huber, E.M.
登録日2016-05-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
6RVD
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BU of 6rvd by Molmil
Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex
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, CALCIUM ION, ...
著者El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-31
公開日2019-10-02
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
5L65
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BU of 5l65 by Molmil
Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Groll, M, Huber, E.M.
登録日2016-05-28
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
5AI2
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BU of 5ai2 by Molmil
Anomalous Neutron phased crystal structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.75A resolution at 295K
分子名称: CADMIUM ION, RUBREDOXIN, deuterium(1+)
著者Cuypers, M.G, Mossou, E, Mason, S.A.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
3I98
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BU of 3i98 by Molmil
X-ray crystallographic structure of Inorganic Pyrophosphatase at 298K from archaeon Thermococcus thioreducens
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETYL GROUP, ...
著者Hughes, R.C, Coates, L, Meehan, E.J, Ng, J.D.
登録日2009-07-10
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray crystallographic structure of Inorganic Pyrophosphatase at 298K from archaeon Thermococcus thioreducens
To be Published
6S71
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BU of 6s71 by Molmil
Crystal structure of CARM1 in complex with inhibitor WH5C
分子名称: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1
著者Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
登録日2019-07-04
公開日2020-03-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.062 Å)
主引用文献Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S7B
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BU of 6s7b by Molmil
Crystal structure of CARM1 in complex with inhibitor UM249
分子名称: 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine, Histone-arginine methyltransferase CARM1
著者Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
登録日2019-07-04
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.659 Å)
主引用文献Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
1OXO
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BU of 1oxo by Molmil
ASPARTATE AMINOTRANSFERASE, H-ASP COMPLEX, OPEN CONFORMATION
分子名称: 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE
著者Hohenester, E, Schirmer, T, Jansonius, J.N.
登録日1995-12-23
公開日1996-06-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures and solution studies of oxime adducts of mitochondrial aspartate aminotransferase.
Eur.J.Biochem., 236, 1996
1ARD
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BU of 1ard by Molmil
STRUCTURES OF DNA-BINDING MUTANT ZINC FINGER DOMAINS: IMPLICATIONS FOR DNA BINDING
分子名称: YEAST TRANSCRIPTION FACTOR ADR1, ZINC ION
著者Hoffman, R.C, Xu, R.X, Horvath, S.J, Herriott, J.R, Klevit, R.E.
登録日1993-10-01
公開日1994-01-31
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Structures of DNA-binding mutant zinc finger domains: implications for DNA binding.
Protein Sci., 2, 1993
6S23
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BU of 6s23 by Molmil
Crystal structure of ene-reductase GsOYE from Galleria sulphuraria in complex with 2-methyl-cyclopenten-1-one
分子名称: 2-methylcyclopenta-2,4-dien-1-one, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ...
著者Robescu, M.S, Niero, M, Hall, M, Bergantino, E, Cendron, L.
登録日2019-06-20
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020

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