5ENA
 
 | | Xray crystal structure of isotope-labeled human insulin | | Descriptor: | Insulin chain A, Insulin chain B | | Authors: | Mandal, K, Dhayalan, B, Avital-Shmilovici, M, Tokmakoff, A, Kent, S.B.H. | | Deposit date: | 2015-11-09 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | 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
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6C8X
 | | Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | | Deposit date: | 2018-01-25 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.613 Å) | | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
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6W5G
 | | Class D beta-lactamase BAT-2 | | Descriptor: | 1,2-ETHANEDIOL, BAT-2 beta-lactamase | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | Deposit date: | 2020-03-13 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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5JUR
 | | PB2 bound to an azaindole inhibitor | | Descriptor: | (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 | | Authors: | Jacobs, M.D. | | Deposit date: | 2016-05-10 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
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1L55
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6C8Y
 | | D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | | Deposit date: | 2018-01-25 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.942 Å) | | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
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1GYK
 | | Serum Amyloid P Component co-crystallised with MOBDG at neutral pH | | Descriptor: | CALCIUM ION, METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE, SERUM AMYLOID P-COMPONENT | | Authors: | Thompson, D, Pepys, M.B, Tickle, I, Wood, S.P. | | Deposit date: | 2002-04-25 | | Release date: | 2003-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
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7BOV
 | | The Structure of Bacillus subtilis glycosyltransferase,Bs-YjiC | | Descriptor: | GLYCEROL, SODIUM ION, Uncharacterized UDP-glucosyltransferase YjiC | | Authors: | Zhao, C, Liu, B, Zhao, N.L, Luo, Y.Z, Bao, R. | | Deposit date: | 2020-03-20 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Structural and biochemical studies of the glycosyltransferase Bs-YjiC from Bacillus subtilis.
Int.J.Biol.Macromol., 166, 2021
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6OKR
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2OKX
 | | Crystal structure of GH78 family rhamnosidase of Bacillus SP. GL1 AT 1.9 A | | Descriptor: | CALCIUM ION, GLYCEROL, Rhamnosidase B | | Authors: | Cui, Z, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-01-17 | | Release date: | 2007-11-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Glycoside Hydrolase Family 78 alpha-L-Rhamnosidase from Bacillus sp. GL1
J.Mol.Biol., 374, 2007
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5GJQ
 | | Structure of the human 26S proteasome bound to USP14-UbAl | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G. | | Deposit date: | 2016-07-01 | | Release date: | 2016-08-17 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016
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5Z1E
 | | MAP2K7 C218S mutant-inhibitor | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 7, N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide | | Authors: | Kinoshita, T, London, N. | | Deposit date: | 2017-12-26 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Covalent Docking Identifies a Potent and Selective MKK7 Inhibitor.
Cell Chem Biol, 26, 2019
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4X07
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5ZA8
 | | uPA-BB2-27F | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B | | Authors: | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | Deposit date: | 2018-02-06 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
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5ZAF
 | | uPA-BB2-28F | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B | | Authors: | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | Deposit date: | 2018-02-07 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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
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7LET
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4PBU
 | | Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2014-04-13 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
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3HO6
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1L60
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1L56
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6CBL
 | | x-ray structure of NeoB from Streptomyces fradiae in complex with neamine as an external aldimine | | Descriptor: | (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 | | Authors: | Thoden, J.B, Dow, G.T, Holden, H.M. | | Deposit date: | 2018-02-03 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin.
Protein Sci., 27, 2018
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4YPS
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | Descriptor: | 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 | | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | Deposit date: | 2015-03-13 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1012 Å) | | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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3N7P
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7VGK
 | | Crystal structure of Lactobacillus rhamnosus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI | | Descriptor: | 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase | | Authors: | Iwase, H, Oiki, S, Mikami, B, Takase, R, Hashimoto, W. | | Deposit date: | 2021-09-16 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structures of Lacticaseibacillus 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase KduI in complex with substrate analogs
J.Appl.Glyosci., 2023
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5A8Q
 | | Crystal structure beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A obtained by soaking | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L. | | Deposit date: | 2015-07-16 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
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