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4GX8
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BU of 4gx8 by Molmil
Crystal structure of a DNA polymerase III alpha-epsilon chimera
分子名称: CHLORIDE ION, DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha
著者Robinson, A, Horan, N, Xu, Z.-Q, Dixon, N.E, Oakley, A.J.
登録日2012-09-04
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
7M1X
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BU of 7m1x by Molmil
Cryo-EM Structure of Nucleosome containing mouse histone variant H2A.Z
分子名称: DNA (136-MER), Histone H2A.Z, Histone H2B 1.1, ...
著者Tan, D, Lewis, T.
登録日2021-03-15
公開日2021-09-29
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of chromatin regulation by histone variant H2A.Z.
Nucleic Acids Res., 49, 2021
2FMN
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BU of 2fmn by Molmil
Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase complex with LY309887
分子名称: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC ACID
著者Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L.
登録日2006-01-09
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation
Biochemistry, 45, 2006
3TI1
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BU of 3ti1 by Molmil
CDK2 in complex with SUNITINIB
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
著者Alam, R, Schonbrunn, E.
登録日2011-08-19
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
7E7O
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BU of 7e7o by Molmil
Cryo-EM structure of human ABCA4 in NRPE-bound state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Retinal-specific phospholipid-transporting ATPase ABCA4, ...
著者Xie, T, Zhang, Z.K, Gong, X.
登録日2021-02-26
公開日2021-06-30
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of substrate recognition and translocation by human ABCA4.
Nat Commun, 12, 2021
4CEY
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BU of 4cey by Molmil
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor NLD
分子名称: 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, SODIUM ION, VP1, ...
著者De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2013-11-12
公開日2014-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
7XJ0
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BU of 7xj0 by Molmil
Structure of human TRPV3 in complex with Trpvicin
分子名称: Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Fan, J, Yue, Z, Jiang, D, Lei, X.
登録日2022-04-14
公開日2022-11-09
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
3TAT
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BU of 3tat by Molmil
TYROSINE AMINOTRANSFERASE FROM E. COLI
分子名称: PYRIDOXAL-5'-PHOSPHATE, TYROSINE AMINOTRANSFERASE
著者Ko, T.P, Yang, W.Z, Wu, S.P, Tsai, H, Yuan, H.S.
登録日1998-08-12
公開日1999-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystallization and preliminary crystallographic analysis of the Escherichia coli tyrosine aminotransferase.
Acta Crystallogr.,Sect.D, 55, 1999
3IWM
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BU of 3iwm by Molmil
The octameric SARS-CoV main protease
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Zhong, N, Zhang, S, Xue, F, Lou, Z, Rao, Z, Xia, B.
登録日2009-09-02
公開日2010-07-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Three-dimensional domain swapping as a mechanism to lock the active conformation in a super-active octamer of SARS-CoV main protease
Protein Cell, 1, 2010
3V48
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BU of 3v48 by Molmil
Crystal Structure of the putative alpha/beta hydrolase RutD from E.coli
分子名称: GLYCEROL, Putative aminoacrylate hydrolase RutD, THIOCYANATE ION
著者Knapik, A.A, Petkowski, J.J, Otwinowski, Z, Cymborowski, M.T, Cooper, D.R, Chruszcz, M, Porebski, P.J, Niedzialkowska, E, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-12-14
公開日2012-01-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A multi-faceted analysis of RutD reveals a novel family of alpha / beta hydrolases.
Proteins, 80, 2012
3QGN
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BU of 3qgn by Molmil
The allosteric E*-E equilibrium is a key property of the trypsin fold
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, IODIDE ION, ...
著者Niu, W, Gohara, D, Chen, Z, Di Cera, E.
登録日2011-01-24
公開日2011-07-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic and kinetic evidence of allostery in a trypsin-like protease.
Biochemistry, 50, 2011
8A71
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BU of 8a71 by Molmil
Crystal structure of right-handed Z-DNA containing 2'-deoxy-L-ribose in complex with the polyamine cadaverine and potassium cations at ultrahigh resolution
分子名称: 5-azaniumylpentylazanium, POTASSIUM ION, Right-handed Z-DNA
著者Drozdzal, P, Manszewski, T, Gilski, M, Brzezinski, K, Jaskolski, M.
登録日2022-06-20
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.69 Å)
主引用文献Right-handed Z-DNA at ultrahigh resolution: a tale of two hands and the power of the crystallographic method.
Acta Crystallogr D Struct Biol, 79, 2023
6KK3
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BU of 6kk3 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 4
分子名称: 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine, Genome polyprotein
著者Quek, J.P.
登録日2019-07-23
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
7MT2
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BU of 7mt2 by Molmil
Mtb 70S initiation complex
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Cui, Z, Zhang, J.
登録日2021-05-12
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
7MSM
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BU of 7msm by Molmil
Mtb 70SIC in complex with MtbEttA at Trans_R0 state
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Cui, Z, Zhang, J.
登録日2021-05-11
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
7MSZ
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BU of 7msz by Molmil
Mtb 70SIC in complex with MtbEttA at Trans_R1 state
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Cui, Z, Zhang, J.
登録日2021-05-12
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
4BQS
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BU of 4bqs by Molmil
Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative.
分子名称: (1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SHIKIMATE KINASE
著者Otero, J.M, Garcia-Doval, C, Llamas-Saiz, A.L, Blanco, B, Prado, V, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2013-06-02
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mycobacterium tuberculosis shikimate kinase inhibitors: design and simulation studies of the catalytic turnover.
J. Am. Chem. Soc., 135, 2013
1XNZ
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BU of 1xnz by Molmil
Crystal Structure of Mn(II) form of E. coli. Methionine Aminopeptidase in complex with 5-(2-chlorophenyl)furan-2-carboxylic acid
分子名称: 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ...
著者Ye, Q.-Z, Xie, S.-X, Huang, M, Huang, W.-J, Lu, J.-P, Ma, Z.-Q.
登録日2004-10-05
公開日2004-11-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Metalloform-Selective Inhibitors of Escherichia coli Methionine Aminopeptidase and X-ray Structure of a Mn(II)-Form Enzyme Complexed with an Inhibitor.
J.Am.Chem.Soc., 126, 2004
4RAC
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BU of 4rac by Molmil
Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
著者Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W.
登録日2014-09-10
公開日2015-01-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.
J.Med.Chem., 58, 2015
7MSH
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BU of 7msh by Molmil
Mtb 70SIC in complex with MtbEttA at Pre_R1 state
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Cui, Z, Zhang, J.
登録日2021-05-11
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
7MSC
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BU of 7msc by Molmil
Mtb 70SIC in complex with MtbEttA at Pre_R0 state
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Cui, Z, Zhang, J.
登録日2021-05-11
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
6KK5
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BU of 6kk5 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 15
分子名称: 1-[(5~{S},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, NS3 protease, Serine protease subunit NS2B
著者Quek, J.P.
登録日2019-07-23
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
6KK2
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Crystal structure of Zika NS2B-NS3 protease with compound 2
分子名称: 1-[(10~{S},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(27),24(28),25-trien-10-yl]guanidine, NS3 protease, Serine protease subunit NS2B
著者Quek, J.P.
登録日2019-07-23
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
4CAS
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BU of 4cas by Molmil
Serial femtosecond crystallography structure of a photosynthetic reaction center
分子名称: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
著者Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R.
登録日2013-10-09
公開日2013-12-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
2GNK
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GLNK, A SIGNAL PROTEIN FROM E. COLI
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PROTEIN (NITROGEN REGULATORY PROTEIN)
著者Xu, Y, Cheah, E, Carr, P.D, van Heeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L.
登録日1998-07-14
公開日1999-07-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition.
J.Mol.Biol., 282, 1998

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