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8BLP
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BU of 8blp by Molmil
Human Urea Transporter UT-B/UT1 in Complex with Inhibitor UTBinh-14
分子名称: 10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
著者Chi, G, Dietz, L, Pike, A.C.W, Maclean, E.M, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, Scacioc, A, McKinley, G, Arrowsmith, C.H, Edwards, A, Bountra, C, Fernandez-Cid, A, Burgess-Brown, N.A, Duerr, K.L.
登録日2022-11-10
公開日2023-10-04
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural characterization of human urea transporters UT-A and UT-B and their inhibition.
Sci Adv, 9, 2023
7PJQ
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BU of 7pjq by Molmil
Crystal structure of YTHDC1 with compound T96
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain-containing protein 1, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-24
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
1YT4
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BU of 1yt4 by Molmil
Crystal structure of TEM-76 beta-lactamase at 1.4 Angstrom resolution
分子名称: Beta-lactamase TEM
著者Thomas, V.L, Golemi-Kotra, D, Kim, C, Vakulenko, S.B, Mobashery, S, Shoichet, B.K.
登録日2005-02-09
公開日2005-07-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Consequences of the Inhibitor-Resistant Ser130Gly Substitution in TEM beta-Lactamase.
Biochemistry, 44, 2005
7PEQ
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BU of 7peq by Molmil
Model of the outer rings of the human nuclear pore complex
分子名称: Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133, Nuclear pore complex protein Nup160, ...
著者Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U.
登録日2021-08-11
公開日2021-10-20
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (35 Å)
主引用文献The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021
7PJA
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BU of 7pja by Molmil
Crystal structure of YTHDC1 with compound PSI_DC1_002
分子名称: 6-methyl-3H-pyridin-2-one, GLYCEROL, SULFATE ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7PJ7
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BU of 7pj7 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_222
分子名称: N-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
1SHW
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BU of 1shw by Molmil
EphB2 / EphrinA5 Complex Structure
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, Ephrin-A5, ...
著者Himanen, J.P, Chumley, M.J, Lackmann, M, Li, C, Barton, W.A, Jeffrey, P.D, Vearing, C, Geleick, D, Feldheim, D.A, Boyd, A.W.
登録日2004-02-26
公開日2004-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Repelling class discrimination: ephrin-A5 binds to and activates EphB2 receptor signaling
Nat.Neurosci., 7, 2004
6ZQT
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BU of 6zqt by Molmil
Crystal structure of the RLIP76 Ral binding domain mutant (E427H/Q433L/K440R) in complex with RalB-GMPPNP
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D.
登録日2020-07-10
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
3FWC
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BU of 3fwc by Molmil
Sac3:Sus1:Cdc31 complex
分子名称: Cell division control protein 31, Nuclear mRNA export protein SAC3, Protein SUS1, ...
著者Stewart, M, Jani, D.
登録日2009-01-17
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Sus1, Cdc31, and the Sac3 CID region form a conserved interaction platform that promotes nuclear pore association and mRNA export.
Mol.Cell, 33, 2009
6ZQW
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BU of 6zqw by Molmil
Cryo-EM structure of immature Spondweni virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, prM
著者Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
登録日2020-07-10
公開日2021-01-20
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
7Q4M
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BU of 7q4m by Molmil
Type II beta-amyloid 42 Filaments from Human Brain
分子名称: Amyloid-beta precursor protein, UNKNOWN ATOM OR ION
著者Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M.
登録日2021-11-01
公開日2021-11-24
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structures of amyloid-beta 42 filaments from human brains.
Science, 375, 2022
8BEY
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BU of 8bey by Molmil
Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 7
分子名称: Cry49Aa protein
著者Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R.
登録日2022-10-22
公開日2023-11-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX.
Proc.Natl.Acad.Sci.USA, 120, 2023
7AAA
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BU of 7aaa by Molmil
Crystal structure of the catalytic domain of human PARP1 (apo)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
著者Schimpl, M, Ogden, T.E.H, Yang, J.-C, Underwood, E, Rawlins, P.B, Johannes, J.W, Easton, L.E, Embrey, K.J, Neuhaus, D.
登録日2020-09-04
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
7Q4B
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BU of 7q4b by Molmil
Type I beta-amyloid 42 Filaments from Human Brain
分子名称: Amyloid-beta precursor protein, UNKNOWN ATOM OR ION
著者Yang, Y, Arseni, D, Zhang, W, Huang, M, Lovestam, S.K.A, Schweighauser, M, Kotecha, A, Murzin, A.G, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Garringer, H.J, Gelpi, E, Newell, K.L, Kovacs, G.G, Vidal, R, Ghetti, B, Falcon, B, Scheres, S.H.W, Goedert, M.
登録日2021-10-30
公開日2021-11-24
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structures of amyloid-beta 42 filaments from human brains.
Science, 375, 2022
1H1W
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BU of 1h1w by Molmil
High resolution crystal structure of the human PDK1 catalytic domain
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Biondi, R.M, Komander, D, Thomas, C.C, Lizcano, J.M, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2002-07-23
公開日2003-07-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High Resolution Crystal Structure of the Human Pdk1 Catalytic Domain Defines the Regulatory Phosphopeptide Docking Site
Embo J., 21, 2003
7ACQ
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BU of 7acq by Molmil
CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747
分子名称: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kessler, D.
登録日2020-09-11
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI00925747
To Be Published
1HHQ
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BU of 1hhq by Molmil
Role of active site resiude Lys16 in Nucleoside Diphosphate Kinase
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION
著者Schneider, B, Babolat, M, Xu, Y.W, Janin, J, Veron, M, Deville-Bonne, D.
登録日2000-12-26
公開日2001-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of Phosphoryl Transfer by Nucleoside Diphosphate Kinase Ph-Dependence and Role of Active Site Lys16 and Tyr56 Residues
Eur.J.Biochem., 268, 2001
6ZMP
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BU of 6zmp by Molmil
Crystal structure of Chaetomium thermophilum Naa20 in complex with a bisubstrate analogue
分子名称: CARBOXYMETHYL COENZYME *A, CMC-MET-ASP-GLU-LEU, N-terminal acetyltransferase-like protein
著者Layer, D, Kopp, J, Sinning, I.
登録日2020-07-03
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural basis of Naa20 activity towards a canonical NatB substrate.
Commun Biol, 4, 2021
7A4M
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BU of 7a4m by Molmil
Cryo-EM structure of mouse heavy-chain apoferritin at 1.22 A
分子名称: FE (III) ION, Ferritin heavy chain, ZINC ION
著者Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W.
登録日2020-08-20
公開日2020-10-28
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (1.22 Å)
主引用文献Single-particle cryo-EM at atomic resolution.
Nature, 587, 2020
3T58
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BU of 3t58 by Molmil
C76A/C455S mutant of mouse QSOX1 containing an interdomain disulfide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Sulfhydryl oxidase 1
著者Fass, D, Alon, A, Gat, Y.
登録日2011-07-27
公開日2012-05-30
最終更新日2012-08-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The dynamic disulphide relay of quiescin sulphydryl oxidase.
Nature, 488, 2012
6ZML
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BU of 6zml by Molmil
CryoEM Structure of Merkel Cell Polyomavirus Virus-like Particle
分子名称: Capsid protein VP1
著者Bayer, N.J, Januliene, D, Stehle, T, Moeller, A, Blaum, B.S.
登録日2020-07-03
公開日2020-08-05
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of Merkel Cell Polyomavirus Capsid and Interaction with Its Glycosaminoglycan Attachment Receptor.
J.Virol., 94, 2020
1SQF
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BU of 1sqf by Molmil
The crystal structure of E. coli Fmu binary complex with S-Adenosylmethionine at 2.1 A resolution
分子名称: S-ADENOSYLMETHIONINE, SUN protein
著者Foster, P.G, Nunes, C.R, Greene, P, Moustakas, D, Stroud, R.M.
登録日2004-03-18
公開日2004-05-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The First Structure of an RNA m5C Methyltransferase, Fmu, Provides Insight into Catalytic Mechanism and Specific Binding of RNA Substrate
Structure, 11, 2003
1SQK
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BU of 1sqk by Molmil
CRYSTAL STRUCTURE OF CIBOULOT IN COMPLEX WITH SKELETAL ACTIN
分子名称: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Hertzog, M, Van Heijenoort, C, Didry, D, Gaudier, M, Gigant, B, Coutant, J, Didelot, G, Preat, T, Knossow, M, Guittet, E, Carlier, M.F.
登録日2004-03-19
公開日2004-06-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The beta-Thymosin/WH2 Domain; Structural Basis for the Switch from Inhibition to Promotion of Actin Assembly
Cell(Cambridge,Mass.), 117, 2004
1ZFE
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BU of 1zfe by Molmil
GCA Duplex B-DNA
分子名称: 5'-D(*CP*CP*TP*GP*CP*GP*CP*AP*GP*G)-3'
著者Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
登録日2005-04-20
公開日2005-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1RYV
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BU of 1ryv by Molmil
Three dimensional solution structure of the K27A MUTANT of sodium channels inhibitor HAINANTOXIN-IV BY 2D 1H-NMR
分子名称: Hainantoxin-IV
著者Li, D, Lu, S, Gu, X, Liang, S.
登録日2003-12-22
公開日2004-01-13
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004

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