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5ENA
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BU of 5ena by Molmil
Xray crystal structure of isotope-labeled human insulin
分子名称: Insulin chain A, Insulin chain B
著者Mandal, K, Dhayalan, B, Avital-Shmilovici, M, Tokmakoff, A, Kent, S.B.H.
登録日2015-11-09
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystallization of Enantiomerically Pure Proteins from Quasi-Racemic Mixtures: Structure Determination by X-Ray Diffraction of Isotope-Labeled Ester Insulin and Human Insulin.
Chembiochem, 17, 2016
6C8X
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BU of 6c8x by Molmil
Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Windsor, I.W, Raines, R.T, Forest, K.T.
登録日2018-01-25
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
6W5G
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BU of 6w5g by Molmil
Class D beta-lactamase BAT-2
分子名称: 1,2-ETHANEDIOL, BAT-2 beta-lactamase
著者Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
登録日2020-03-13
公開日2020-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
5JUR
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BU of 5jur by Molmil
PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
1L55
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BU of 1l55 by Molmil
ANALYSIS OF THE INTERACTION BETWEEN CHARGED SIDE CHAINS AND THE ALPHA-HELIX DIPOLE USING DESIGNED THERMOSTABLE MUTANTS OF PHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1991-05-06
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Analysis of the interaction between charged side chains and the alpha-helix dipole using designed thermostable mutants of phage T4 lysozyme.
Biochemistry, 30, 1991
6C8Y
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BU of 6c8y by Molmil
D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Windsor, I.W, Raines, R.T, Forest, K.T.
登録日2018-01-25
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
1GYK
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BU of 1gyk by Molmil
Serum Amyloid P Component co-crystallised with MOBDG at neutral pH
分子名称: CALCIUM ION, METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE, SERUM AMYLOID P-COMPONENT
著者Thompson, D, Pepys, M.B, Tickle, I, Wood, S.P.
登録日2002-04-25
公開日2003-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structures of Crystalline Complexes of Human Serum Amyloid P Component with its Carbohydrate Ligand, the Cyclic Pyruvate Acetal of Galactose
J.Mol.Biol., 320, 2002
7BOV
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BU of 7bov by Molmil
The Structure of Bacillus subtilis glycosyltransferase,Bs-YjiC
分子名称: GLYCEROL, SODIUM ION, Uncharacterized UDP-glucosyltransferase YjiC
著者Zhao, C, Liu, B, Zhao, N.L, Luo, Y.Z, Bao, R.
登録日2020-03-20
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Structural and biochemical studies of the glycosyltransferase Bs-YjiC from Bacillus subtilis.
Int.J.Biol.Macromol., 166, 2021
6OKR
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BU of 6okr by Molmil
CDTb Pre-Insertion form Modeled from Cryo-EM Map Reconstructed using C7 Symmetry
分子名称: ADP-ribosyltransferase binding component
著者Lacy, D.B, Sheedlo, M.J, Anderson, D.M.
登録日2019-04-15
公開日2019-10-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into the transition of Clostridioides difficile binary toxin from prepore to pore.
Nat Microbiol, 5, 2020
2OKX
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BU of 2okx by Molmil
Crystal structure of GH78 family rhamnosidase of Bacillus SP. GL1 AT 1.9 A
分子名称: CALCIUM ION, GLYCEROL, Rhamnosidase B
著者Cui, Z, Mikami, B, Hashimoto, W, Murata, K.
登録日2007-01-17
公開日2007-11-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Glycoside Hydrolase Family 78 alpha-L-Rhamnosidase from Bacillus sp. GL1
J.Mol.Biol., 374, 2007
5GJQ
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BU of 5gjq by Molmil
Structure of the human 26S proteasome bound to USP14-UbAl
分子名称: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
著者Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G.
登録日2016-07-01
公開日2016-08-17
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016
5Z1E
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BU of 5z1e by Molmil
MAP2K7 C218S mutant-inhibitor
分子名称: Dual specificity mitogen-activated protein kinase kinase 7, N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
著者Kinoshita, T, London, N.
登録日2017-12-26
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Covalent Docking Identifies a Potent and Selective MKK7 Inhibitor.
Cell Chem Biol, 26, 2019
4X07
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BU of 4x07 by Molmil
Crystal structure of P domain from norovirus strain Saga4 in complex with HBGA type A (triglycan)
分子名称: ACETATE ION, VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
著者Singh, B.K, Hansman, G.S.
登録日2014-11-20
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Human noroviruses' fondness for histo-blood group antigens.
J.Virol., 89, 2015
5ZA8
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BU of 5za8 by Molmil
uPA-BB2-27F
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-06
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAF
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BU of 5zaf by Molmil
uPA-BB2-28F
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-07
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
7LET
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BU of 7let by Molmil
Structure of importin a2 bound to the p50- and p65-NLSs
分子名称: Importin subunit alpha-1, Nuclear factor NF-kappa-B p105 subunit, Transcription factor p65
著者Florio, T.J, Lokareddy, R.K, Cingolani, G.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Differential recognition of canonical NF-kappa B dimers by Importin alpha 3.
Nat Commun, 13, 2022
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-04-13
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
3HO6
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BU of 3ho6 by Molmil
Structure-function analysis of inositol hexakisphosphate-induced autoprocessing in clostridium difficile toxin A
分子名称: INOSITOL HEXAKISPHOSPHATE, Toxin A
著者Pruitt, R.N, Lacy, D.B.
登録日2009-06-01
公開日2009-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-function analysis of inositol hexakisphosphate-induced autoprocessing in Clostridium difficile toxin A.
J.Biol.Chem., 284, 2009
1L60
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BU of 1l60 by Molmil
ANALYSIS OF THE INTERACTION BETWEEN CHARGED SIDE CHAINS AND THE ALPHA-HELIX DIPOLE USING DESIGNED THERMOSTABLE MUTANTS OF PHAGE T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1991-05-06
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Analysis of the effectiveness of proline substitutions and glycine replacements in increasing the stability of phage T4 lysozyme.
Biopolymers, 32, 1992
1L56
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BU of 1l56 by Molmil
ANALYSIS OF THE INTERACTION BETWEEN CHARGED SIDE CHAINS AND THE ALPHA-HELIX DIPOLE USING DESIGNED THERMOSTABLE MUTANTS OF PHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, T4 LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1991-05-06
公開日1991-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Analysis of the effectiveness of proline substitutions and glycine replacements in increasing the stability of phage T4 lysozyme.
Biopolymers, 32, 1992
6CBL
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BU of 6cbl by Molmil
x-ray structure of NeoB from Streptomyces fradiae in complex with neamine as an external aldimine
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranoside, CHLORIDE ION, Neamine transaminase NeoN
著者Thoden, J.B, Dow, G.T, Holden, H.M.
登録日2018-02-03
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin.
Protein Sci., 27, 2018
4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-13
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1012 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
3N7P
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BU of 3n7p by Molmil
Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
分子名称: Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1, SULFATE ION
著者Ter Haar, E.
登録日2010-05-27
公開日2010-09-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
7VGK
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BU of 7vgk by Molmil
Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI
分子名称: 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase
著者Iwase, H, Oiki, S, Mikami, B, Takase, R, Hashimoto, W.
登録日2021-09-16
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of Lacticaseibacillus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI in complex with substrate analogs
J.Appl.Glyosci., 2023
5A8Q
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BU of 5a8q by Molmil
Crystal structure beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A obtained by soaking
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
登録日2015-07-16
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016

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