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7REX
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BU of 7rex by Molmil
PreQ1-1 (type-1) riboswitch in complex with tandem stacked metabolites
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, MAGNESIUM ION, RNA (34-MER)
著者Jenkins, J.L, Schroeder, G.M, Wedekind, J.E.
登録日2021-07-13
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A small RNA that cooperatively senses two stacked metabolites in one pocket for gene control
Nat Commun, 13, 2022
3M3J
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BU of 3m3j by Molmil
A new crystal form of Lys48-linked diubiquitin
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Ubiquitin
著者Trempe, J.F, Brown, N.R, Noble, M.E.M, Endicott, J.A.
登録日2010-03-09
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new crystal form of Lys48-linked diubiquitin.
Acta Crystallogr.,Sect.F, 66, 2010
6GVG
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BU of 6gvg by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine
分子名称: 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
登録日2018-06-21
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
7A43
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BU of 7a43 by Molmil
Fluoroacetate Dehalogenase measured by serial femtosecond crystallography
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase
著者Mehrabi, P, Schulz, E.C, Buecker, R.
登録日2020-08-19
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
7A42
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BU of 7a42 by Molmil
Fluoroacetate Dehalogenase measured by serial synchrotron crystallography
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase
著者Mehrabi, P, Schulz, E.C, Buecker, R.
登録日2020-08-19
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
7A45
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BU of 7a45 by Molmil
CO-bound sperm whale myoglobin measured by serial femtosecond crystallography
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Mehrabi, P, Schulz, E.C, Buecker, R.
登録日2020-08-19
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
7A44
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BU of 7a44 by Molmil
CO-bound sperm whale myoglobin measured by serial synchrotron crystallography
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Mehrabi, P, Schulz, E.C, Buecker, R.
登録日2020-08-19
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
3MK7
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BU of 3mk7 by Molmil
The structure of CBB3 cytochrome oxidase
分子名称: 30-mer peptide, CALCIUM ION, COPPER (II) ION, ...
著者Buschmann, S, Warkentin, E, Michel, H, Ermler, U.
登録日2010-04-14
公開日2010-08-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Structure of cbb3 Cytochrome Oxidase Provides Insights into Proton Pumping
Science, 329, 2010
3M3K
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BU of 3m3k by Molmil
Ligand binding domain (S1S2) of GluA3 (flop)
分子名称: GLUTAMIC ACID, Glutamate receptor 3, ZINC ION
著者Ahmed, A.H, Ptak, C.P, Oswald, R.E.
登録日2010-03-09
公開日2010-03-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献Molecular mechanism of flop selectivity and subsite recognition for an AMPA receptor allosteric modulator: structures of GluA2 and GluA3 in complexes with PEPA.
Biochemistry, 49, 2010
3MAC
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BU of 3mac by Molmil
crystal structure of GP41-derived protein complexed with fab 8062
分子名称: Fab8062, Transmembrane glycoprotein
著者Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M.
登録日2010-03-23
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41.
Plos Pathog., 6, 2010
1AVR
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BU of 1avr by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN ANNEXIN V AFTER REFINEMENT. IMPLICATIONS FOR STRUCTURE, MEMBRANE BINDING AND ION CHANNEL FORMATION OF THE ANNEXIN FAMILY OF PROTEINS
分子名称: ANNEXIN V, CALCIUM ION, SULFATE ION
著者Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E.
登録日1991-10-17
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins.
J.Mol.Biol., 223, 1992
3MQ6
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BU of 3mq6 by Molmil
Domain swapped SgrAI with DNA and calcium bound
分子名称: CALCIUM ION, DNA (5'-D(*AP*AP*GP*TP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*AP*CP*T)-3'), SgraIR restriction enzyme
著者Dunten, P.W, Horton, N.C, Little, E.J.
登録日2010-04-27
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Domain swapping in allosteric modulation of DNA specificity.
Plos Biol., 8, 2010
7A09
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BU of 7a09 by Molmil
Structure of a human ABCE1-bound 43S pre-initiation complex - State III
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Kratzat, H, Mackens-Kiani, T, Ameismeier, A, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
登録日2020-08-07
公開日2020-10-14
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes.
Embo J., 40, 2021
7ACD
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BU of 7acd by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound T30 (UZH1a)
分子名称: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2020-09-10
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献METTL3 Inhibitors for Epitranscriptomic Modulation of Cellular Processes.
Chemmedchem, 16, 2021
6HK1
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BU of 6hk1 by Molmil
Crystal structure of the Thiazole synthase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SODIUM ION, ...
著者Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E.
登録日2018-09-05
公開日2019-06-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Protein crystal structure determination with the crystallophore, a nucleating and phasing agent.
J.Appl.Crystallogr., 52, 2019
3MA9
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BU of 3ma9 by Molmil
Crystal structure of gp41 derived protein complexed with fab 8066
分子名称: Fab8066 FAB ANTIBODY FRAGMENT, Heavy Chain, Light Chain, ...
著者Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M.
登録日2010-03-23
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41.
Plos Pathog., 6, 2010
8EF8
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BU of 8ef8 by Molmil
Staphylococcus aureus ClpP Y63W in complex with compound 3471
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit
著者Lee, R.E, Griffith, E.C.
登録日2022-09-08
公開日2023-07-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class
To Be Published
3MCU
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BU of 3mcu by Molmil
Crystal structure of the dipicolinate synthase chain B from Bacillus cereus. Northeast Structural Genomics Consortium Target BcR215.
分子名称: Dipicolinate synthase, B chain, PHOSPHATE ION
著者Vorobiev, S, Lew, S, Abashidze, M, Seetharaman, J, Wang, H, Ciccosanti, C, Foote, E.L, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-03-29
公開日2010-04-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Crystal structure of the dipicolinate synthase chain B from Bacillus cereus.
To be Published
7RCJ
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BU of 7rcj by Molmil
Crystal structure of ZnuA from Citrobacter koseri
分子名称: 6-tungstotellurate(VI), High-affinity zinc uptake system protein ZnuA, ZINC ION
著者Yukl, E.T, Yekwa, E.L.
登録日2021-07-07
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Conformational flexibility in the zinc solute-binding protein ZnuA.
Acta Crystallogr.,Sect.F, 78, 2022
8FON
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BU of 8fon by Molmil
Crystal structure of tRNA^Lys(SUU) bound to AUA codon in the ribosomal P site
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Nguyen, H.A, Hoffer, E.D, Maehigashi, T, Fagan, C.E, Dunham, C.M.
登録日2023-01-02
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献Structural basis for reduced ribosomal A-site fidelity in response to P-site codon-anticodon mismatches.
J.Biol.Chem., 299, 2023
9EST
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BU of 9est by Molmil
STRUCTURAL STUDY OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH 7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOUMARIN AS A NONREACTIVATABLE DOUBLY COVALENT ENZYME-INHIBITOR COMPLEX
分子名称: (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ...
著者Radhakrishnan, R, Powers, J.C, Meyer Jr, E.F.
登録日1991-01-14
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural study of porcine pancreatic elastase complexed with 7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin as a nonreactivatable doubly covalent enzyme-inhibitor complex.
Biochemistry, 30, 1991
8F7P
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BU of 8f7p by Molmil
BRAF kinase in complex with LXH254 (naporafenib)
分子名称: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
著者Tkacik, E, Li, K, Gonzalez Del-Pino, G, Eck, M.J.
登録日2022-11-20
公開日2023-04-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structure and RAF family kinase isoform selectivity of type II RAF inhibitors tovorafenib and naporafenib.
J.Biol.Chem., 299, 2023
8FOM
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BU of 8fom by Molmil
Crystal structure of tRNA^Lys(SUU) bound to UAA codon in the ribosomal P site
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Nguyen, H.A, Hoffer, E.D, Maehigashi, T, Fagan, C.E, Dunham, C.M.
登録日2023-01-02
公開日2023-03-29
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献Structural basis for reduced ribosomal A-site fidelity in response to P-site codon-anticodon mismatches.
J.Biol.Chem., 299, 2023
3M67
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BU of 3m67 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide
分子名称: 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-15
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3M2N
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BU of 3m2n by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide
分子名称: 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-08
公開日2011-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012

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