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5O3D
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Human Brd2(BD2) mutant in complex with 9-ET
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Chan, K.-H, Runcie, A.C, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
6GHY
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BU of 6ghy by Molmil
Structure of Lytic Transglycosylase MltE inactive mutant E64Q from E.coli
分子名称: DI(HYDROXYETHYL)ETHER, Endo-type membrane-bound lytic murein transglycosylase A
著者Batuecas, M.T, Hermoso, J.A.
登録日2018-05-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
1BGA
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BETA-GLUCOSIDASE A FROM BACILLUS POLYMYXA
分子名称: BETA-GLUCOSIDASE A
著者Sanz-Aparicio, J, Hermoso, J.A, Martinez-Ripoll, M, Polaina, J.
登録日1997-04-04
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of beta-glucosidase A from Bacillus polymyxa: insights into the catalytic activity in family 1 glycosyl hydrolases.
J.Mol.Biol., 275, 1998
5X5I
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BU of 5x5i by Molmil
The X-ray crystal structure of a TetR family transcription regulator RcdA involved in the regulation of biofilm formation in Escherichia coli
分子名称: HTH-type transcriptional regulator RcdA
著者Sugino, H, Usui, M, Shimada, T, Nakano, M, Ogasawara, H, Ishihama, A, Hirata, A.
登録日2017-02-16
公開日2017-12-27
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献A structural sketch of RcdA, a transcription factor controlling the master regulator of biofilm formation.
FEBS Lett., 591, 2017
8RAT
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BU of 8rat by Molmil
EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K
分子名称: RIBONUCLEASE A
著者Tiltonjunior, R.F, Dewan, J.C, Petsko, G.A.
登録日1991-08-13
公開日1993-07-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K.
Biochemistry, 31, 1992
6FL3
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BU of 6fl3 by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-01-25
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
5VB8
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BU of 5vb8 by Molmil
Crystal structure of the NavAb voltage-gated sodium channel in an open state
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, SODIUM ION, ...
著者Lenaeus, M.J, Catterall, W.A.
登録日2017-03-28
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structures of closed and open states of a voltage-gated sodium channel.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UZU
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BU of 5uzu by Molmil
Immune evasion by a Staphylococcal Peroxidase Inhibitor that blocks myeloperoxidase
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de Jong, N, Geisbrecht, B.V, van Strijp, J, Haas, P, Nijland, R, Ramyar, K, Fevre, C, Guerra, F, Voyich-Kane, J, van Kessel, C, Garcia, B.
登録日2017-02-27
公開日2017-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Immune evasion by a staphylococcal inhibitor of myeloperoxidase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1CLX
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BU of 1clx by Molmil
CATALYTIC CORE OF XYLANASE A
分子名称: CALCIUM ION, XYLANASE A
著者Harris, G.W, Jenkins, J.A, Connerton, I, Pickersgill, R.W.
登録日1995-08-31
公開日1996-06-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Refined crystal structure of the catalytic domain of xylanase A from Pseudomonas fluorescens at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
5JMC
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BU of 5jmc by Molmil
Receptor binding domain of Botulinum neurotoxin A in complex with rat SV2C
分子名称: Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C
著者Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R.
登録日2016-04-28
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
6MW0
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BU of 6mw0 by Molmil
Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A.
分子名称: METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
実験手法X-RAY DIFFRACTION (0.78 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
6MW1
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cyclo-Mle-Phe-Mle-Phe. Pseudoxylallemycin A.
分子名称: Pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
1BH4
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BU of 1bh4 by Molmil
CIRCULIN A FROM CHASSALIA PARVIFLORA, NMR, 12 STRUCTURES
分子名称: CIRCULIN A
著者Daly, N.L, Koltay, A, Craik, D.J.
登録日1998-06-12
公開日1999-06-15
最終更新日2020-08-12
実験手法SOLUTION NMR
主引用文献Solution structure by NMR of circulin A: a macrocyclic knotted peptide having anti-HIV activity.
J.Mol.Biol., 285, 1999
5W6G
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BU of 5w6g by Molmil
Human antibody 6649 in complex with influenza hemagglutinin H1 Solomon Islands
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, 6649 antibody heavy chain, ...
著者Raymond, D.D, Harrison, S.C.
登録日2017-06-16
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Conserved epitope on influenza-virus hemagglutinin head defined by a vaccine-induced antibody.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6IBP
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BU of 6ibp by Molmil
Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device
分子名称: CCA-adding enzyme
著者de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
登録日2018-11-30
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.536 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
5N21
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BU of 5n21 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
7LM9
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BU of 7lm9 by Molmil
Crystal structure of SARS-CoV spike protein receptor-binding domain in complex with a cross-neutralizing antibody CV38-142 Fab isolated from COVID-19 patient
分子名称: 1,2-ETHANEDIOL, CV38-142 Fab heavy chain, CV38-142 Fab light chain, ...
著者Liu, H, Yuan, M, Zhu, X, Wilson, I.A.
登録日2021-02-05
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献A combination of cross-neutralizing antibodies synergizes to prevent SARS-CoV-2 and SARS-CoV pseudovirus infection.
Cell Host Microbe, 29, 2021
6FJK
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BU of 6fjk by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-01-22
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.025 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
1CPX
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BU of 1cpx by Molmil
BETA FORM OF CARBOXYPEPTIDASE A (RESIDUES 3-307) FROM BOVINE PANCREAS IN AN ORTHORHOMBIC CRYSTAL FORM WITH TWO ZINC IONS IN THE ACTIVE SITE.
分子名称: HYDROXIDE ION, PROTEIN (CARBOXYPEPTIDASE A), ZINC ION
著者Bukrinsky, J.T, Bjerrum, M.J, Kadziola, A.
登録日1998-07-27
公開日1998-08-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Native carboxypeptidase A in a new crystal environment reveals a different conformation of the important tyrosine 248.
Biochemistry, 37, 1998
6MW2
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BU of 6mw2 by Molmil
cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A.
分子名称: pseudoxylallemycin A
著者Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
登録日2018-10-29
公開日2019-09-11
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
6MHJ
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BU of 6mhj by Molmil
Structure of BoNT mutant
分子名称: Botulinum neurotoxin type A, PHOSPHATE ION
著者Lam, K, Jin, R.
登録日2018-09-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.019 Å)
主引用文献A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
6FYT
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BU of 6fyt by Molmil
Structure of H1 (A/solomon Islands/3/06) Influenza Hemagglutinin in complex with SD38
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, Hemagglutinin, ...
著者Laursen, N.S, Wilson, I.A.
登録日2018-03-12
公開日2018-11-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
6FQV
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2.60A BINARY COMPLEX OF S.AUREUS GYRASE with UNCLEAVED DNA
分子名称: DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, DNA gyrase subunit B,DNA gyrase subunit B, ...
著者Bax, B.D, Germe, T, Basque, E, Maxwell, A.
登録日2018-02-14
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
5MQH
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Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis in a crystal form without domain swapping
分子名称: Serine phosphatase
著者Levdikov, V.M, Wilkinson, A.J, Blagova, E.V.
登録日2016-12-20
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A widespread family of serine/threonine protein phosphatases shares a common regulatory switch with proteasomal proteases.
Elife, 6, 2017
5M7K
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Blastochloris viridis photosynthetic reaction center - RC_vir_xfel
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Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G.
登録日2016-10-28
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017

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