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2W4Z
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BU of 2w4z by Molmil
Caulobacter bacteriophage 5
分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, CAULOBACTER BACTERIOPHAGE 5
著者Plevka, P, Kazaks, A, Dishlers, A, Liljas, L, Tars, K.
登録日2008-12-02
公開日2009-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The Structure of Bacteriophage Phicb5 Reveals a Role of the RNA Genome and Metal Ions in Particle Stability and Assembly.
J.Mol.Biol., 391, 2009
7AEQ
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BU of 7aeq by Molmil
Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide
分子名称: 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ...
著者Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-09-18
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
7AES
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Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide
分子名称: 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ...
著者Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-09-18
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
7AGN
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BU of 7agn by Molmil
Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide
分子名称: 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ...
著者Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-09-23
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
5LWA
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TURNIP YELLOW MOSAIC VIRUS PROTEASE/DEUBIQUITINASE DOMAIN, I847A MUTANT
分子名称: RNA replicase polyprotein
著者Ayach, M, Bressanelli, S.
登録日2016-09-15
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献A mobile loop near the active site acts as a switch between the dual activities of a viral protease/deubiquitinase.
PLoS Pathog., 13, 2017
7JX6
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BU of 7jx6 by Molmil
STRUCTURE OF THE SARS-CoV-2 ORF8 ENCODED ACCESSORY PROTEIN
分子名称: ORF8 protein, SODIUM ION
著者Hall, P.D, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-08-26
公開日2020-09-23
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal Structure of the SARS-CoV-2 ORF8 Protein
To Be Published
5LZE
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BU of 5lze by Molmil
Structure of the 70S ribosome with Sec-tRNASec in the classical pre-translocation state (C)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
登録日2016-09-29
公開日2016-11-23
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
5G1W
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BU of 5g1w by Molmil
Apo Structure of Linalool Dehydratase-Isomerase
分子名称: 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID
著者Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G.
登録日2016-03-30
公開日2017-01-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and functional insights into asymmetric enzymatic dehydration of alkenols.
Nat. Chem. Biol., 13, 2017
5LZC
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BU of 5lzc by Molmil
Structure of SelB-Sec-tRNASec bound to the 70S ribosome in the codon reading state (CR)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
登録日2016-09-29
公開日2016-11-23
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
6U75
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BU of 6u75 by Molmil
Crystal Structure of S. Cerevisiae SUMO E3 Ligase SIZ2
分子名称: E3 SUMO-protein ligase SIZ2, ZINC ION
著者Lima, C.D, Cappadocia, L.
登録日2019-08-31
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献DNA asymmetry promotes SUMO modification of the single-stranded DNA-binding protein RPA.
Embo J., 40, 2021
4WY8
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BU of 4wy8 by Molmil
Structural analysis of two fungal esterases from Rhizomucor miehei explaining their substrate specificity
分子名称: esterase
著者Qin, Z, Yang, S, Duan, X, Yan, Q, Jiang, Z.
登録日2014-11-16
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural insights into the substrate specificity of two esterases from the thermophilic Rhizomucor miehei
J.Lipid Res., 56, 2015
5LZA
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BU of 5lza by Molmil
Structure of the 70S ribosome with SECIS-mRNA and P-site tRNA (Initial complex, IC)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
登録日2016-09-29
公開日2016-11-23
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
6SMV
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BU of 6smv by Molmil
Structure of HPV49 E6 protein in complex with MAML1 LxxLL motif
分子名称: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Protein E6,Mastermind-like protein 1, ZINC ION, ...
著者Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G.
登録日2019-08-22
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
6SNX
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BU of 6snx by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzamide
分子名称: BENZAMIDE, cAMP-dependent protein kinase catalytic subunit alpha
著者Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
登録日2019-08-27
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
6SOD
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BU of 6sod by Molmil
Fragment N14056a in complex with MAP kinase p38-alpha
分子名称: 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-29
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
2XVC
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BU of 2xvc by Molmil
Molecular and structural basis of ESCRT-III recruitment to membranes during archaeal cell division
分子名称: CADMIUM ION, CDVA, SSO0911, ...
著者Samson, R.Y, Obita, T, Hodgson, B, Shaw, M.K, Chong, P.L, Williams, R.L, Bell, S.D.
登録日2010-10-25
公開日2011-02-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular and Structural Basis of Escrt-III Recruitment to Membranes During Archaeal Cell Division.
Mol.Cell, 41, 2011
6SQY
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BU of 6sqy by Molmil
Mouse dCTPase in complex with dCMP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1
著者Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P.
登録日2019-09-04
公開日2020-01-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
6SPY
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BU of 6spy by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 6-(morpholin-4-yl)pyridine-3-carboxamide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-morpholin-4-ylpyridine-3-carboxamide, DIMETHYL SULFOXIDE, ...
著者Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
登録日2019-09-03
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
6SQW
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BU of 6sqw by Molmil
Mouse dCTPase in complex with 5-Me-dCMP
分子名称: 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1
著者Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P.
登録日2019-09-04
公開日2020-01-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
5E3M
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BU of 5e3m by Molmil
Crystal structure of Fis bound to 27bp DNA F35 (AAATTAGTTTGAATCTCGAGCTAATTT)
分子名称: DNA (27-MER), DNA-binding protein Fis
著者Stella, S, Hancock, S.P, Cascio, D, Johnson, R.C.
登録日2015-10-03
公開日2016-03-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.886 Å)
主引用文献DNA Sequence Determinants Controlling Affinity, Stability and Shape of DNA Complexes Bound by the Nucleoid Protein Fis.
Plos One, 11, 2016
6SUT
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BU of 6sut by Molmil
Crystal structure of phosphothreonine MCR-2
分子名称: BROMIDE ION, GLYCEROL, Putative integral membrane protein, ...
著者Hinchliffe, P, Spencer, J.
登録日2019-09-16
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Resistance to the "last resort" antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes.
Chem.Commun.(Camb.), 56, 2020
4ZDE
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BU of 4zde by Molmil
Crystal structure of yeast D3,D2-enoyl-CoA isomerase F268A mutant
分子名称: 3,2-trans-enoyl-CoA isomerase, GLYCEROL, SULFATE ION
著者Onwukwe, G.U, Koski, M.K, Wierenga, R.K.
登録日2015-04-17
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
5LZF
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BU of 5lzf by Molmil
Structure of the 70S ribosome with fMetSec-tRNASec in the hybrid pre-translocation state (H)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
登録日2016-09-29
公開日2016-11-23
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
2XZA
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BU of 2xza by Molmil
Crystal Structure of recombinant A.17 antibody FAB fragment
分子名称: FAB A.17 HEAVY CHAIN, FAB A.17 LIGHT CHAIN
著者Carletti, E, Nachon, F, Nicolet, Y, Masson, P, Kurkova, I, Smirnov, I, Friboulet, A, Tramontano, A, Gabibov, A.
登録日2010-11-24
公開日2011-09-21
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reactibodies Generated by Kinetic Selection Couple Chemical Reactivity with Favorable Protein Dynamics.
Proc.Natl.Acad.Sci.USA, 108, 2011
6SZ4
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BU of 6sz4 by Molmil
The glucuronoyl esterase OtCE15A H408A variant from Opitutus terrae in complex with, and covalently linked to, D-glucuronate
分子名称: FORMIC ACID, beta-D-glucopyranuronic acid, glucuronoyl esterase OtCE15A
著者Mazurkewich, S, Navarro Poulsen, J.C, Larsbrink, J, Lo Leggio, L.
登録日2019-10-01
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components.
J.Biol.Chem., 294, 2019

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