3GBW
 
 | | Crystal structure of the first PHR domain of the Mouse Myc-binding protein 2 (MYCBP-2) | | Descriptor: | E3 ubiquitin-protein ligase MYCBP2 | | Authors: | Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Klemke, R.L, Miller, S.A, Bain, K.T, Rutter, M.E, Tarun, G, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-02-20 | | Release date: | 2009-03-24 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
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3HWJ
 | | Crystal structure of the second PHR domain of Mouse Myc-binding protein 2 (MYCBP-2) | | Descriptor: | DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase MYCBP2 | | Authors: | Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Miller, S.A, Bain, K.T, Rutter, M.E, Gheyi, T, Klemke, R.L, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-06-17 | | Release date: | 2009-07-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
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3LON
 | | HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ... | | Authors: | Prongay, A.J. | | Deposit date: | 2010-02-04 | | Release date: | 2011-01-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
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4Z55
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4PX6
 | | SYK catalytic domain in complex with a potent pyridopyrimidinone inhibitor | | Descriptor: | 7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one, Tyrosine-protein kinase SYK | | Authors: | Lee, C.C. | | Deposit date: | 2014-03-21 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Syk inhibitors with high potency in presence of blood.
Bioorg.Med.Chem.Lett., 24, 2014
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6AI8
 | | Cab2 mutant-H337A | | Descriptor: | GLYCEROL, Phosphopantothenate--cysteine ligase CAB2, SULFATE ION | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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6AIP
 | | Cab2 mutant-H337A complex with phosphopantothenoylcystine | | Descriptor: | (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name), Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-24 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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6AIK
 | | Cab2 mutant H337A complex with phosphopantothenoyl-CMP | | Descriptor: | PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER, Phosphopantothenate--cysteine ligase CAB2 | | Authors: | Zheng, P, Zhu, Z. | | Deposit date: | 2018-08-24 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
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5GWN
 | | Crystal structure of human RCC2 | | Descriptor: | Protein RCC2, SULFATE ION | | Authors: | Liang, L, Yun, C.H, Yin, Y.X. | | Deposit date: | 2016-09-12 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.309 Å) | | Cite: | RCC2 is a novel p53 target in suppressing metastasis.
Oncogene, 37, 2018
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3A1U
 | | Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in GMPPNP form | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Iron(II) transport protein B, MAGNESIUM ION, ... | | Authors: | Hattori, M, Ishitani, R, Nureki, O. | | Deposit date: | 2009-04-22 | | Release date: | 2009-09-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
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3A1S
 | | Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in GDP form I | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hattori, M, Ishitani, R, Nureki, O. | | Deposit date: | 2009-04-22 | | Release date: | 2009-09-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
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3A1W
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3A1T
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3A1V
 | | Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in apo form | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Hattori, M, Ishitani, R, Nureki, O. | | Deposit date: | 2009-04-22 | | Release date: | 2009-09-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
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7CK9
 | | Crystal structure of Doxorubicin loaded human ferritin heavy chain | | Descriptor: | CHLORIDE ION, Ferritin heavy chain, GLYCEROL, ... | | Authors: | Chen, X, Jiang, B, Yan, X, Fan, K. | | Deposit date: | 2020-07-16 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | A natural drug entry channel in the ferritin nanocage.
Nano Today, 35, 2020
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7CK8
 | | Crystal structure of human ferritin heavy chain mutant C90S/C102S/C130S | | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ... | | Authors: | Chen, X, Jiang, B, Yan, X, Fan, K. | | Deposit date: | 2020-07-16 | | Release date: | 2021-05-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A natural drug entry channel in the ferritin nanocage.
Nano Today, 35, 2020
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4DBW
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid | | Authors: | Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
J.Med.Chem., 56, 2013
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3P5P
 | | Crystal Structure of Taxadiene Synthase from Pacific Yew (Taxus brevifolia) in complex with Mg2+ and 13-aza-13,14-dihydrocopalyl diphosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate, MAGNESIUM ION, ... | | Authors: | Koksal, M, Christianson, D.W. | | Deposit date: | 2010-10-10 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.816 Å) | | Cite: | Taxadiene synthase structure and evolution of modular architecture in terpene biosynthesis.
Nature, 469, 2011
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3P5R
 | | Crystal Structure of Taxadiene Synthase from Pacific Yew (Taxus brevifolia) in complex with Mg2+ and 2-fluorogeranylgeranyl diphosphate | | Descriptor: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, Taxadiene synthase | | Authors: | Koksal, M, Christianson, D.W. | | Deposit date: | 2010-10-10 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.247 Å) | | Cite: | Taxadiene synthase structure and evolution of modular architecture in terpene biosynthesis.
Nature, 469, 2011
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7LCC
 | | Helitron transposase bound to LTS | | Descriptor: | Helraiser K1068Q, LTS, ZINC ION | | Authors: | Kosek, D, Dyda, F. | | Deposit date: | 2021-01-10 | | Release date: | 2021-08-25 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | The large bat Helitron DNA transposase forms a compact monomeric assembly that buries and protects its covalently bound 5'-transposon end.
Mol.Cell, 81, 2021
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6BI2
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7ESC
 | | FmnB complexed with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | | Authors: | Cheng, W, Zheng, Y.H. | | Deposit date: | 2021-05-10 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
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7ESA
 | | the complex structure of flavin transferase FmnB complexed with FAD | | Descriptor: | FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION | | Authors: | Zheng, Y.H, Cheng, W. | | Deposit date: | 2021-05-09 | | Release date: | 2021-11-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
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6BHZ
 | | Trastuzumab Fab D185A (Light Chain) Mutant. | | Descriptor: | 1,2-ETHANEDIOL, Trastuzumab Anti-HER2 Fab Heavy Chain, Trastuzumab Anti-HER2 Fab Light Chain D185A | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2017-10-31 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Tuning a Protein-Labeling Reaction to Achieve Highly Site Selective Lysine Conjugation.
Chembiochem, 19, 2018
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7ESB
 | | FmnB complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | | Authors: | Zheng, Y.H, Cheng, W. | | Deposit date: | 2021-05-09 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
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