2JUF
 
 | | NMR solution structure of PARC CPH Domain. NESG Target HR3443B/SGC-Toronto | | Descriptor: | p53-associated parkin-like cytoplasmic protein | | Authors: | Kaustov, L, Liao, J.C.C, Lemak, S, Duan, S, Muhandiram, R, Karra, M, Srisailam, S.H, Sundstrom, M, Weigelt, J, Edwards, A.M, Dhe-Paganon, S, Arrowsmith, C.H, Structural Genomics Consortium (SGC), Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-08-23 | | Release date: | 2007-10-16 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of PARC CPH Domain.
To be Published
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6BAB
 | | The structure of human CamKII with bound inhibitor | | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit delta, L(+)-TARTARIC ACID, N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide | | Authors: | Somoza, J.R, Villasenor, A.G. | | Deposit date: | 2017-10-12 | | Release date: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | TBD
To Be Published
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4L1W
 | | Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone | | Descriptor: | Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ... | | Authors: | Zhang, B, Hu, X.-J, Lin, S.-X. | | Deposit date: | 2013-06-03 | | Release date: | 2014-04-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
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6ANY
 | | Structure of BmVAL-1 | | Descriptor: | Bm4233, isoform b, SULFATE ION, ... | | Authors: | Asojo, O.A. | | Deposit date: | 2017-08-14 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of Brugia malayi venom allergen-like protein-1 (BmVAL-1), a vaccine candidate for lymphatic filariasis.
Int. J. Parasitol., 48, 2018
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7LAD
 | | Clobetasol propionate bound to CYP3A5 | | Descriptor: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | | Deposit date: | 2021-01-06 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
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6AOZ
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7LOU
 | | Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine | | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Glucosyltransferase TcdB, ... | | Authors: | Harijan, R.K, Paparella, A.S, Aboulache, B.L, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2021-02-10 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues.
Nat Commun, 12, 2021
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6ASE
 | | KRAS mutant-A59G in GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Westover, K, Lu, J. | | Deposit date: | 2017-08-24 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.554 Å) | | Cite: | KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
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6ASA
 | | KRAS mutant-D33E in GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Lu, J, Westover, K. | | Deposit date: | 2017-08-24 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
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7LOV
 | | Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and noeuromycin | | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Harijan, R.K, Paparella, A.S, Aboulache, B.L, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2021-02-10 | | Release date: | 2021-11-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues.
Nat Commun, 12, 2021
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7LXF
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3SI5
 | | Kinetochore-BUBR1 kinase complex | | Descriptor: | Mitotic checkpoint serine/threonine-protein kinase BUB1 beta, Protein CASC5 | | Authors: | Blundell, T.L, Chirgadze, D.Y, Bolanos-Garcia, V.M. | | Deposit date: | 2011-06-17 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a Blinkin-BUBR1 Complex Reveals an Interaction Crucial for Kinetochore-Mitotic Checkpoint Regulation via an Unanticipated Binding Site.
Structure, 19, 2011
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6BSX
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3SSU
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6C1A
 | | MBD2 in complex with methylated DNA | | Descriptor: | Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION, complement to dna strand 1, ... | | Authors: | Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-04 | | Release date: | 2018-02-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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6C1T
 | | MBD2 in complex with a partially methylated DNA | | Descriptor: | 12-mer DNA, GLYCEROL, Methyl-CpG-binding domain protein 2, ... | | Authors: | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-05 | | Release date: | 2018-02-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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6C3P
 | | Cryo-EM structure of human KATP bound to ATP and ADP in propeller form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | | Authors: | Lee, K.P.K, Chen, J, MacKinnon, R. | | Deposit date: | 2018-01-10 | | Release date: | 2018-01-24 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Molecular structure of human KATP in complex with ATP and ADP.
Elife, 6, 2017
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6CA6
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6CAD
 | | Crystal structure of RAF kinase domain bound to the inhibitor 2a | | Descriptor: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase B-raf | | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Liu, X, Chen, Y.-C, Prakash, G.K.S, Zhang, C, SIcheri, F. | | Deposit date: | 2018-01-30 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Effects of rigidity on the selectivity of protein kinase inhibitors.
Eur J Med Chem, 146, 2018
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6BNH
 | | Solution NMR structures of BRD4 ET domain with JMJD6 peptide | | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Bromodomain-containing protein 4 | | Authors: | Konuma, T, Yu, D, Zhao, C, Ju, Y, Sharma, R, Ren, C, Zhang, Q, Zhou, M.-M, Zeng, L. | | Deposit date: | 2017-11-16 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4.
Sci Rep, 7, 2017
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6C00
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6BML
 | | Structure of human DHHC20 palmitoyltransferase, irreversibly inhibited by 2-bromopalmitate | | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, PALMITIC ACID, PHOSPHATE ION, ... | | Authors: | Rana, M.S, Lee, C.-J, Banerjee, A. | | Deposit date: | 2017-11-15 | | Release date: | 2018-01-24 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Fatty acyl recognition and transfer by an integral membraneS-acyltransferase.
Science, 359, 2018
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6BGI
 | | Cryo-EM structure of the TMEM16A calcium-activated chloride channel in nanodisc | | Descriptor: | Anoctamin-1, CALCIUM ION | | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, J, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | | Deposit date: | 2017-10-28 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel.
Nature, 552, 2017
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6BZO
 | | Mtb RNAP Holo/RbpA/Fidaxomicin/upstream fork DNA | | Descriptor: | DNA (26-MER), DNA (32-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | | Deposit date: | 2017-12-25 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018
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6C06
 | | Mycobacterium tuberculosis RNAP Holo/RbpA/Fidaxomicin | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M. | | Deposit date: | 2017-12-27 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.15 Å) | | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018
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