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PDB: 45955 件

3MJN
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Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution
分子名称: (1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ...
著者Srivastava, K, Vikram, G, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2010-04-13
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution
To be Published
4NR4
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Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
分子名称: 1,2-ETHANEDIOL, 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole, CREB-binding protein, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
TO BE PUBLISHED
6K9Q
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BU of 6k9q by Molmil
Structure of the native supercoiled hook as a universal joint
分子名称: Flagellar hook protein FlgE
著者Kato, T, Miyata, T, Makino, F, Horvath, P, Namba, K.
登録日2019-06-17
公開日2020-02-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the native supercoiled flagellar hook as a universal joint.
Nat Commun, 10, 2019
3KXP
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BU of 3kxp by Molmil
Crystal Structure of E-2-(Acetamidomethylene)succinate Hydrolase
分子名称: Alpha-(N-acetylaminomethylene)succinic acid hydrolase, CHLORIDE ION
著者McCulloch, K.M, Mukherjee, T, Begley, T.P, Ealick, S.E.
登録日2009-12-03
公開日2010-02-09
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure determination and characterization of the vitamin B(6) degradative enzyme (E)-2-(acetamidomethylene)succinate hydrolase.
Biochemistry, 49, 2010
4NWN
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Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28
分子名称: Propanediol utilization: polyhedral bodies pduT, Uncharacterized protein
著者McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O.
登録日2013-12-06
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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
1GGH
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BU of 1ggh by Molmil
CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, HIS128ALA VARIANT.
分子名称: CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE
著者Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C.
登録日2000-08-21
公開日2000-08-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
3BE2
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BU of 3be2 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor
分子名称: N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H.
登録日2007-11-16
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation.
J.Med.Chem., 51, 2008
3M02
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BU of 3m02 by Molmil
The Crystal Structure of 5-epi-aristolochene synthase complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate
分子名称: (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION
著者Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E.
登録日2010-03-02
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
6KK6
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BU of 6kk6 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 16
分子名称: 1-[(5~{R},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, GLYCEROL, NS3 protease, ...
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 (1.74 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
7XRF
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BU of 7xrf by Molmil
Crystal structaure of DgpB/C complex
分子名称: AP_endonuc_2 domain-containing protein, DgpB, MANGANESE (II) ION
著者Ma, M, He, P.
登録日2022-05-10
公開日2023-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
7XRE
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BU of 7xre by Molmil
Crystal structure of DgpA
分子名称: DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Ma, W, He, P.
登録日2022-05-10
公開日2023-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
3KH9
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BU of 3kh9 by Molmil
Crystal structure of the periplasmic soluble domain of oxidized CcmG from Pseudomonas aeruginosa
分子名称: Thiol:disulfide interchange protein dsbE
著者Di Matteo, A, Calosci, N, Gianni, S, Jemth, P, Brunori, M, Travaglini Allocatelli, C.
登録日2009-10-30
公開日2010-04-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional characterization of CcmG from Pseudomonas aeruginosa, a key component of the bacterial cytochrome c maturation apparatus.
Proteins, 78, 2010
5OOE
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BU of 5ooe by Molmil
Cryo-EM structure of F-actin in complex with AppNHp (AMPPNP)
分子名称: Actin, alpha skeletal muscle, MAGNESIUM ION, ...
著者Merino, F, Pospich, S, Funk, J, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S.
登録日2017-08-07
公開日2018-06-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
3KH7
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BU of 3kh7 by Molmil
Crystal structure of the periplasmic soluble domain of reduced CcmG from Pseudomonas aeruginosa
分子名称: Thiol:disulfide interchange protein dsbE
著者Di Matteo, A, Calosci, N, Gianni, S, Jemth, P, Brunori, M, Travaglini Allocatelli, C.
登録日2009-10-30
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional characterization of CcmG from Pseudomonas aeruginosa, a key component of the bacterial cytochrome c maturation apparatus.
Proteins, 78, 2010
3EIF
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BU of 3eif by Molmil
1.9 angstrom crystal structure of the active form of the C5a peptidase from Streptococcus pyogenes (ScpA)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ...
著者Cooney, J.C, Kagawa, T.F, O'Connell, M.R, Paoli, M, Mouat, P, O'Toole, P.W.
登録日2008-09-15
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Model for Substrate Interactions in C5a Peptidase from Streptococcus pyogenes: A 1.9 A Crystal Structure of the Active Form of ScpA
J.Mol.Biol., 386, 2009
3KHS
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BU of 3khs by Molmil
Crystal structure of grouper iridovirus purine nucleoside phosphorylase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Kang, Y.N, Zhang, Y, Allan, P.W, Parker, W.B, Ting, J.W, Chang, C.Y, Ealick, S.E.
登録日2009-10-30
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure of grouper iridovirus purine nucleoside phosphorylase
Acta Crystallogr.,Sect.D, 66, 2010
7XQ7
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BU of 7xq7 by Molmil
The complex structure of WT-Mpro
分子名称: 3C-like proteinase nsp5, SODIUM ION
著者Sahoo, P, Lenka, D.R, Kumar, A.
登録日2022-05-06
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
7XQ6
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The complex structure of mutant Mpro with inhibitor
分子名称: 3C-like proteinase nsp5, CHLORIDE ION
著者Sahoo, P, Lenka, D.R, Kumar, A.
登録日2022-05-06
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
3O4M
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BU of 3o4m by Molmil
Crystal structure of porcine pancreatic phospholipase A2 in complex with 1,2-dihydroxybenzene
分子名称: CALCIUM ION, CATECHOL, Phospholipase A2, ...
著者Dileep, K.V, Tintu, I, Karthe, P, Mandal, P.K, Haridas, M, Sadasivan, C.
登録日2010-07-27
公開日2010-08-25
最終更新日2011-11-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Binding to PLA(2) may contribute to the anti-inflammatory activity of catechol
Chem.Biol.Drug Des., 2011
4NRX
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BU of 4nrx by Molmil
Crystal Structure of HIV-1 Neutralizing Antibody m66 in complex with gp41 MPER peptide
分子名称: Envelope glycoprotein gp41, m66 Heavy Chain, m66 Light Chain
著者Ofek, G, Yang, Y, Kwong, P.D.
登録日2013-11-27
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural Basis for HIV-1 Neutralization by 2F5-Like Antibodies m66 and m66.6.
J.Virol., 88, 2014
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
分子名称: BB1
著者Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
登録日2018-04-10
公開日2018-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
1GK6
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Human vimentin coil 2B fragment linked to GCN4 leucine zipper (Z2B)
分子名称: VIMENTIN
著者Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P.
登録日2001-08-08
公開日2002-03-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly.
Embo J., 21, 2002
4TTV
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BU of 4ttv by Molmil
Crystal structure of human ThrRS complexing with a bioengineered macrolide BC194
分子名称: (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ...
著者Fang, P, Guo, M.
登録日2014-06-23
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Aminoacyl-tRNA synthetase dependent angiogenesis revealed by a bioengineered macrolide inhibitor.
Sci Rep, 5, 2015
4NXJ
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Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
分子名称: Bromodomain protein
著者Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC)
登録日2013-12-09
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
TO BE PUBLISHED

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