5TSQ
 
 | | Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose | | Descriptor: | CALCIUM ION, IUnH, beta-D-ribofuranose | | Authors: | Bachega, J.F.R, Timmers, L.F.S.M, Dalberto, P.F, Martinelli, L, Pinto, A.F.M, Basso, L.A, Norberto de Souza, O, Santos, D.S. | | Deposit date: | 2016-10-31 | | Release date: | 2016-12-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose
To Be Published
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8DJC
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | | Descriptor: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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3W30
 | | Structual basis for the recognition of Ubc13 by the Shigella flexneri effector OspI | | Descriptor: | ORF169b | | Authors: | Nishide, A, Kim, M, Takagi, K, Sasakawa, C, Mizushima, T. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural Basis for the Recognition of Ubc13 by the Shigella flexneri Effector OspI.
J.Mol.Biol., 425, 2013
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8AG4
 | | Vaccinia C16 protein bound to Ku70/Ku80 | | Descriptor: | Protein C10, X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6 | | Authors: | Rivera-Calzada, A, Arribas-Bosacoma, R, Pearl, L.H, Llorca, O. | | Deposit date: | 2022-07-19 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (2.46 Å) | | Cite: | Structural basis for the inactivation of cytosolic DNA sensing by the vaccinia virus.
Nat Commun, 13, 2022
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4QI5
 | | Dehydrogenase domain of Myriococcum thermophilum cellobiose dehydrogenase with bound cellobionolactam, MtDH | | Descriptor: | (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | | Authors: | Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C. | | Deposit date: | 2014-05-30 | | Release date: | 2015-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
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8AG5
 | | Vaccinia C16 protein bound to Ku70/Ku80 | | Descriptor: | Ku70-Xrcc6, Protein C10, X-ray repair cross-complementing protein 5 | | Authors: | Rivera-Calzada, A, Arribas-Bosacoma, R, Pearl, L.H, Llorca, O. | | Deposit date: | 2022-07-19 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structural basis for the inactivation of cytosolic DNA sensing by the vaccinia virus.
Nat Commun, 13, 2022
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6BAZ
 | | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | | Descriptor: | (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2017-10-16 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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4IK3
 | | High resolution structure of GCaMP3 at pH 8.5 | | Descriptor: | CALCIUM ION, RCaMP, Green fluorescent protein | | Authors: | Chen, Y, Song, X, Miao, L, Zhu, Y, Ji, G. | | Deposit date: | 2012-12-25 | | Release date: | 2014-01-29 | | Last modified: | 2017-06-21 | | Method: | X-RAY DIFFRACTION (2.007 Å) | | Cite: | Structural insight into enhanced calcium indicator GCaMP3 and GCaMPJ to promote further improvement.
Protein Cell, 4, 2013
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6BDX
 | | 4-hydroxy tetrahydrodipicolinate reductase from Neisseria gonorrhoeae | | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, SULFATE ION | | Authors: | Pote, S.S, Pye, S.E, Sheahan, T.E, Chruszcz, M. | | Deposit date: | 2017-10-24 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 4-Hydroxy-tetrahydrodipicolinate reductase from Neisseria gonorrhoeae - structure and interactions with coenzymes and substrate analog.
Biochem. Biophys. Res. Commun., 503, 2018
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5MI6
 | | BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G | | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | | Deposit date: | 2016-11-27 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
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8AF4
 | | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (40000 frames) | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | | Deposit date: | 2022-07-15 | | Release date: | 2022-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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8JE0
 | | A novel amidohydrolase | | Descriptor: | 1,2-ETHANEDIOL, Amidase, ZINC ION | | Authors: | Ma, D, Feng, R. | | Deposit date: | 2023-05-15 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A novel amidohydrolase catalyze the degradation of PAM by Klebsiella sp. PCX
To Be Published
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4IMY
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8G4D
 | | BceABS ATPgS tilted BceS | | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | George, N.L, Orlando, B.J. | | Deposit date: | 2023-02-09 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
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8AF5
 | | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (10000 frames) | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | | Deposit date: | 2022-07-15 | | Release date: | 2022-11-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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8G4C
 | | BceABS ATPgS high res TM | | Descriptor: | Bacitracin export ATP-binding protein BceA, Bacitracin export permease protein BceB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | George, N.L, Orlando, B.J. | | Deposit date: | 2023-02-09 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Architecture of a complete Bce-type antimicrobial peptide resistance module.
Nat Commun, 14, 2023
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8APZ
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8CW2
 | | Crystal structure of TDP1 complexed with compound XZ760 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-05-18 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.811 Å) | | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
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5MKM
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8AQ0
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5U90
 | | Crystal structure of Co-CAO1 in complex with resveratrol | | Descriptor: | COBALT (II) ION, Carotenoid oxygenase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Sui, X, Palczewski, k, Banerjee, S, Kiser, P.D. | | Deposit date: | 2016-12-15 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center.
Biochemistry, 56, 2017
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4QO8
 | | Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104 | | Descriptor: | (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2014-06-19 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
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8AG9
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8CVQ
 | | Crystal structure of TDP1 complexed with compound XZ761 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-05-18 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
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8AJ4
 | | X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A') | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8,8-bis($l^{1}-oxidanyl)-2,2'-dimethyl-8,8'-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene], Lysozyme, ... | | Authors: | Paolillo, M, Merlino, A, Ferraro, G. | | Deposit date: | 2022-07-27 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.
Inorg.Chem., 61, 2022
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