8K9V
 
 | | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 3 (ADKI3) | | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase, ... | | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
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5GX2
 | | Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 3.4 MGy (3rd measurement) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ... | | Authors: | Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M. | | Deposit date: | 2016-09-15 | | Release date: | 2017-01-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
J Synchrotron Radiat, 24, 2017
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6Y05
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with adenine and PKI (5-24) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENINE, ... | | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2020-02-06 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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4NGV
 | | Previously de-ionized HEW lysozyme batch crystallized in 0.5 M YbCl3 | | Descriptor: | CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION | | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | | Deposit date: | 2013-11-03 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
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6Y3I
 | | NMR solution structure of the hazelnut allergen Cor a 1.0402 | | Descriptor: | Major allergen variant Cor a 1.0402 | | Authors: | Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M. | | Deposit date: | 2020-02-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens.
Sci Rep, 11, 2021
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5K64
 | | Crystal structure of VEGF binding IgG1-Fc (Fcab 448) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Humm, A, Lobner, E, Kitzmuller, M, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2016-05-24 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
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8K9S
 | | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ... | | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
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3A1K
 | | Crystal structure of Rhodococcus sp. N771 Amidase | | Descriptor: | Amidase | | Authors: | Ohtaki, A, Noguchi, K, Sato, Y, Murata, K, Odaka, M, Yohda, M. | | Deposit date: | 2009-04-09 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structure and characterization of amidase from Rhodococcus sp. N-771: Insight into the molecular mechanism of substrate recognition
Biochim.Biophys.Acta, 1804, 2010
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5GSL
 | | Glycoside hydrolase A | | Descriptor: | 778aa long hypothetical beta-galactosidase, PHOSPHATE ION | | Authors: | Watanabe, M, Kamachi, S, Mine, S. | | Deposit date: | 2016-08-16 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Glycoside hydrolase A
To Be Published
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8K9X
 | | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 5 (ADKI5) | | Descriptor: | (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase | | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | | Deposit date: | 2023-08-01 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
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3A1W
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5H3Z
 | | Crystal Structure of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Nakajima, M, Tanaka, N, Furukawa, N, Nihira, T, Kodutsumi, Y, Takahashi, Y, Sugimoto, N, Miyanaga, A, Fushinobu, S, Taguchi, H, Nakai, H. | | Deposit date: | 2016-10-28 | | Release date: | 2017-03-01 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans
Sci Rep, 7, 2017
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6Y1P
 | | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | | Descriptor: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ... | | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | Deposit date: | 2020-02-13 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
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1JVO
 | | Azurin dimer, crosslinked via disulfide bridge | | Descriptor: | Azurin, COPPER (II) ION | | Authors: | van Amsterdam, I.M.C, Ubbink, M, Einsle, O, Messerschmidt, A, Merli, A, Cavazzini, D, Rossi, G.L, Canters, G.W. | | Deposit date: | 2001-08-30 | | Release date: | 2002-01-04 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Dramatic modulation of electron transfer in protein complexes by crosslinking
Nat.Struct.Biol., 9, 2002
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5GUD
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5H52
 | | Structure of Titanium-bound human serum transferrin | | Descriptor: | CITRIC ACID, MALONATE ION, Serotransferrin, ... | | Authors: | Curtin, J.P, Wang, M, Sun, H. | | Deposit date: | 2016-11-04 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The role of citrate, lactate and transferrin in determining titanium release from surgical devices into human serum.
J. Biol. Inorg. Chem., 23, 2018
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6Y21
 | | Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-Cystathionine | | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase | | Authors: | Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A. | | Deposit date: | 2020-02-14 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Cystathionine Beta-synthase from Toxoplasma gondii with PLP-Cystathionine
To Be Published
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7SCM
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6YAR
 | | Crystal structure of a Selenium-derivatized complex of the bacterial cellulose secretion regulators BcsR and BcsQ, crystallized in the presence of AppCp | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ... | | Authors: | Caleechurn, M, Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V. | | Deposit date: | 2020-03-12 | | Release date: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
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8K2C
 | | Cryo-EM structure of the human 80S ribosome with Tigecycline | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | | Authors: | Li, X, Wang, M, Cheng, J. | | Deposit date: | 2023-07-12 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
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6YAY
 | | Crystal structure of a Selenium-derivatized complex of the bacterial cellulose secretion regulators BcsR and BcsQ, crystallized in the presence of ADP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ... | | Authors: | Abidi, W, Caleechurn, M, Zouhir, S, Roche, S, Krasteva, P.V. | | Deposit date: | 2020-03-14 | | Release date: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
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5GDS
 | | HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM V | | Authors: | De Simone, G, Lombardi, A, Galdiero, S, Nastri, F, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V. | | Deposit date: | 1997-07-17 | | Release date: | 1998-01-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex.
Protein Sci., 7, 1998
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6YB3
 | | Crystal structure of a native BcsRQ complex purified and crystallized in the absence of nucleotide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ... | | Authors: | Caleechurn, M, Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V. | | Deposit date: | 2020-03-15 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
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6YB5
 | | Orthorhombic crystal structure of a native BcsRQ complex crystallized in the presence of ADP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ... | | Authors: | Caleechurn, M, Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V. | | Deposit date: | 2020-03-15 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
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5GX1
 | | Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 1.1 MGy (1st measurement) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ... | | Authors: | Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M. | | Deposit date: | 2016-09-15 | | Release date: | 2017-01-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
J Synchrotron Radiat, 24, 2017
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