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PDB: 89111 件
5VLI
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BU of 5vli by Molmil
Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)
分子名称: 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bernard, S.M, Wilson, I.A.
登録日2017-04-25
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
6CVW
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BU of 6cvw by Molmil
Crystal structure of HCV NS3/4A WT protease in complex with AJ-52 (MK-5172 linear analogue)
分子名称: N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide, NS3 protease, SULFATE ION, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-03-29
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
3MU0
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BU of 3mu0 by Molmil
Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. Third step of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
登録日2010-05-01
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
5VNW
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BU of 5vnw by Molmil
Crystal structure of Nb.b201 bound to human serum albumin
分子名称: GLYCEROL, LAURIC ACID, Nb.b201, ...
著者McMahon, C, Kruse, A.C.
登録日2017-05-01
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Yeast surface display platform for rapid discovery of conformationally selective nanobodies.
Nat. Struct. Mol. Biol., 25, 2018
3MU8
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Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. Fifth step of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
登録日2010-05-02
公開日2010-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
7LQY
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BU of 7lqy by Molmil
Structure of squirrel TRPV1 in apo state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol, CHLORIDE ION, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2021-02-15
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Extracellular cap domain is an essential component of the TRPV1 gating mechanism.
Nat Commun, 12, 2021
7LM2
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HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C
分子名称: 1,2-ETHANEDIOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ...
著者Lesburg, C.A, Augustin, M.
登録日2021-02-05
公開日2021-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K delta Immunomodulators.
J.Med.Chem., 64, 2021
5W19
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Tryptophan indole-lyase complex with oxindolyl-L-alanine
分子名称: 1-carboxy-1-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-ide, POTASSIUM ION, Tryptophanase
著者Phillips, R.S, Wood, Z.A.
登録日2017-06-02
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of Proteus vulgaris tryptophan indole-lyase complexed with oxindolyl-L-alanine: implications for the reaction mechanism.
Acta Crystallogr D Struct Biol, 74, 2018
3MU4
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BU of 3mu4 by Molmil
Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. First step of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
登録日2010-05-01
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
7LAG
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BU of 7lag by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
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, 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
著者Khan, J.A.
登録日2021-01-06
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO).
Bioorg.Med.Chem.Lett., 42, 2021
6CEN
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BU of 6cen by Molmil
Crystal Structure of WHSC1L1 in Complex with Inhibitor PEP21
分子名称: ACE-GLY-VAL-NLE-ARG-ILE-NH2, Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, ...
著者Boriack-Sjodin, P.A, Swinger, K, Farrow, N.A.
登録日2018-02-12
公開日2018-05-09
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Identification of a peptide inhibitor for the histone methyltransferase WHSC1.
PLoS ONE, 13, 2018
3MVC
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BU of 3mvc by Molmil
High resolution crystal structure of the heme domain of GLB-6 from C. elegans
分子名称: Globin protein 6, NITRATE ION, PRASEODYMIUM ION, ...
著者Yoon, J, Herzik Jr, M.A, Winter, M.B, Tran, R, Olea Jr, C, Marletta, M.A.
登録日2010-05-03
公開日2010-06-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Structure and properties of a bis-histidyl ligated globin from Caenorhabditis elegans.
Biochemistry, 49, 2010
5E1Q
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BU of 5e1q by Molmil
Mutant (D415G) GH97 alpha-galactosidase in complex with Gal-Lac
分子名称: CALCIUM ION, GLYCEROL, Retaining alpha-galactosidase, ...
著者Matsunaga, K, Yamashita, K, Tagami, T, Yao, M, Okuyama, M, Kimura, A.
登録日2015-09-30
公開日2016-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Efficient synthesis of alpha-galactosyl oligosaccharides using a mutant Bacteroides thetaiotaomicron retaining alpha-galactosidase (BtGH97b).
FEBS J., 284, 2017
3MVG
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BU of 3mvg by Molmil
Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A
分子名称: GLYCEROL, Ribosome inactivating type 1 protein, SULFATE ION
著者Meyer, A, Weber, W, Singh, T.P, Betzel, C.
登録日2010-05-04
公開日2011-06-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A
to be published
5VJL
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BU of 5vjl by Molmil
Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/Shanghai/2/2013 (H7N9) with LSTc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Zhu, X, Wilson, I.A.
登録日2017-04-19
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献Three mutations switch H7N9 influenza to human-type receptor specificity.
PLoS Pathog., 13, 2017
6CJ9
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BU of 6cj9 by Molmil
Crystal structure of lectin from Dioclea lasiophylla seeds (DlyL) complexed with X-Man
分子名称: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Lectin, ...
著者Pinto-Junior, V.R, Santiago, M.Q, Osterne, V.J.S, Araripe, D.A, Neco, A.H.B, Silva-Filho, J.C, Leal, R.B, Rocha, C.R.C, Nascimento, K.S, Cavada, B.S.
登録日2018-02-26
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of DlyL, a mannose-specific lectin from Dioclea lasiophylla Mart. Ex Benth seeds that display cytotoxic effects against C6 glioma cells.
Int. J. Biol. Macromol., 114, 2018
5E5F
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BU of 5e5f by Molmil
X-ray structure of the complex between RNase A and compound 4-PF6 ([(PPh3)Au(mi-pbi)Pt(Me)(DMSO)][PF6]), the heterobimetallic derivative obtained in the reaction between the organometallic compound [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3) and the gold(I) compound [Au(Ph3P)][PF6]
分子名称: ACETATE ION, GOLD ION, Ribonuclease pancreatic, ...
著者Merlino, A.
登録日2015-10-08
公開日2015-12-09
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Cytotoxic properties of a new organometallic platinum(ii) complex and its gold(i) heterobimetallic derivatives.
Dalton Trans, 45, 2015
3MYG
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BU of 3myg by Molmil
Aurora A Kinase complexed with SCH 1473759
分子名称: 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL
著者Hruza, A, Prosis, W, Ramanathan, L.
登録日2010-05-10
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core.
ACS Med Chem Lett, 1, 2010
5E7W
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BU of 5e7w by Molmil
X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom
分子名称: ACETATE ION, Insulin, N-PROPANOL, ...
著者Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C.
登録日2015-10-13
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.9519 Å)
主引用文献Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K.
Chem Cent J, 11, 2017
6KAD
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BU of 6kad by Molmil
Cryo-EM structure of the C2S2M2L2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Sheng, X, Watanabe, A, Li, A.J, Kim, E, Song, C, Murata, K, Song, D.F, Minagawa, J, Liu, Z.F.
登録日2019-06-21
公開日2019-10-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
5V2R
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BU of 5v2r by Molmil
Structure of a GA Rich 8x8 Nucleotide RNA Internal Loop
分子名称: RNA (5'-R(*CP*CP*AP*GP*AP*AP*AP*CP*GP*GP*AP*UP*GP*GP*A)-3')
著者Kauffmann, A.D, Kennedy, S.D, Turner, D.H.
登録日2017-03-06
公開日2017-07-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Structure of an 8 8 Nucleotide RNA Internal Loop Flanked on Each Side by Three Watson-Crick Pairs and Comparison to Three-Dimensional Predictions.
Biochemistry, 56, 2017
5V3Q
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BU of 5v3q by Molmil
Human GSTO1-1 complexed with ML175
分子名称: Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, SULFATE ION
著者Oakley, A.J.
登録日2017-03-07
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity.
Sci Rep, 7, 2017
5V41
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BU of 5v41 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM5
分子名称: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
著者Aggarwal, A, Sacchettini, J.C.
登録日2017-03-08
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
3MU5
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BU of 3mu5 by Molmil
Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. Third step of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
登録日2010-05-01
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.404 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
6NB4
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MERS-CoV S complex with human neutralizing LCA60 antibody Fab fragment (state 2)
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, LCA60 heavy chain, ...
著者Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-06
公開日2019-02-06
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019

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