5TF3
 
 | | Crystal Structure of Protein of Unknown Function YPO2564 from Yersinia pestis | | Descriptor: | 1,2-ETHANEDIOL, Putative membrane protein | | Authors: | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Anderson, W.F, Crosson, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-09-23 | | Release date: | 2016-10-19 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal Structure of Protein of Unknown Function YPO2564 from Yersinia pestis
To Be Published
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5TG0
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6ACQ
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6PJB
 | | HIV-1 Protease NL4-3 WT in Complex with Lopinavir | | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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5TJA
 | | I-II linker of TRPML1 channel at pH 6 | | Descriptor: | Mucolipin-1 | | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | | Deposit date: | 2016-10-04 | | Release date: | 2017-01-25 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
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5TJC
 | | I-II linker of TRPML1 channel at pH 7.5 | | Descriptor: | Mucolipin-1 | | Authors: | Li, M, Zhang, W.K, Benvin, N.M, Zhou, X, Su, D, Li, H, Wang, S, Michailidis, I.E, Tong, L, Li, X, Yang, J. | | Deposit date: | 2016-10-04 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of dual Ca(2+)/pH regulation of the endolysosomal TRPML1 channel.
Nat. Struct. Mol. Biol., 24, 2017
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6PJN
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-41 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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1A1H
 | | QGSR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCAC SITE) | | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*CP*CP*AP*CP*GP*C)-3'), QGSR ZINC FINGER PEPTIDE, ... | | Authors: | Elrod-Erickson, M, Benson, T.E, Pabo, C.O. | | Deposit date: | 1997-12-10 | | Release date: | 1998-06-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition.
Structure, 6, 1998
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6PFI
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid. | | Descriptor: | 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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3U01
 | | Crystal structure of onconase double mutant C30A/C75A at 1.12 A resolution | | Descriptor: | ACETATE ION, Protein P-30, SULFATE ION | | Authors: | Kurpiewska, K, Torrent, G, Ribo, M, Vilanova, M, Loch, J, Lewinski, K. | | Deposit date: | 2011-09-28 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Investigating the effects of double mutation C30A/C75A on onconase structure: Studies at atomic resolution.
Biopolymers, 101, 2014
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5T1O
 | | Solution-state NMR and SAXS structural ensemble of NPr (1-85) in complex with EIN-Ntr (170-424) | | Descriptor: | Phosphocarrier protein NPr, Phosphoenolpyruvate-protein phosphotransferase PtsP | | Authors: | Strickland, M, Stanley, A.M, Wang, G, Schwieters, C.D, Buchanan, S, Peterkofsky, A, Tjandra, N. | | Deposit date: | 2016-08-19 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Structure of the NPr:EIN(Ntr) Complex: Mechanism for Specificity in Paralogous Phosphotransferase Systems.
Structure, 24, 2016
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6PA7
 | | The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome. | | Descriptor: | CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ... | | Authors: | Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B.
Nature, 586, 2020
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6AB6
 | | Cryo-EM structure of T=3 Penaeus vannamei nodavirus | | Descriptor: | CALCIUM ION, Capsid protein | | Authors: | Chen, N.C, Miyazaki, N, Yoshimura, M, Guan, H.H, Lin, C.C, Iwasaki, K, Chen, C.J. | | Deposit date: | 2018-07-20 | | Release date: | 2019-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The atomic structures of shrimp nodaviruses reveal new dimeric spike structures and particle polymorphism.
Commun Biol, 2, 2019
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5T3M
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3TK6
 | | factor Xa in complex with D46-5241 | | Descriptor: | CALCIUM ION, Factor X heavy chain, Factor X light chain, ... | | Authors: | Suzuki, M, Mochizuki, A, Nagata, T, Takano, H, Kanno, H, Kishida, M, Ohta, T. | | Deposit date: | 2011-08-25 | | Release date: | 2012-08-29 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Zwitter ionic potent durable orally active Factor Xa inhibitor.
To be Published
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1AAQ
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4HRD
 | | Crystal structure of yeast 20S proteasome in complex with the natural product carmaphycin A | | Descriptor: | N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide, Proteasome component C1, Proteasome component C11, ... | | Authors: | Trivella, D.B.B, Stein, M, Groll, M. | | Deposit date: | 2012-10-27 | | Release date: | 2014-01-29 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.
Chem.Biol., 21, 2014
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3U1B
 | | Crystal structure of the S238R mutant of mycrocine immunity protein (MccF) with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Microcin immunity protein MccF | | Authors: | Nocek, B, Gu, M, Zhou, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-29 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis.
J.Mol.Biol., 420, 2012
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2L7D
 | | Ribonucleotide Perturbation of DNA Structure: Solution Structure of [d(CGC)r(G)d(AATTCGCG)]2 | | Descriptor: | 5'-D(*CP*GP*C)-R(P*G)-D(P*AP*AP*TP*TP*CP*GP*CP*G)-3' | | Authors: | DeRose, E.F, Perera, L, Murray, M.S, Kunkel, T.A, London, R.E. | | Deposit date: | 2010-12-07 | | Release date: | 2011-06-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Dickerson DNA dodecamer containing a single ribonucleotide.
Biochemistry, 51, 2012
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3P0N
 | | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | | Descriptor: | 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-29 | | Release date: | 2010-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
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5TP6
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6PF4
 | | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.854 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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6PFE
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid. | | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.812 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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5TRB
 | | Crystal structure of the RNF20 RING domain | | Descriptor: | E3 ubiquitin-protein ligase BRE1A, ZINC ION | | Authors: | Foglizzo, M, Middleton, A.J, Day, C.L. | | Deposit date: | 2016-10-25 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and Function of the RING Domains of RNF20 and RNF40, Dimeric E3 Ligases that Monoubiquitylate Histone H2B.
J.Mol.Biol., 428, 2016
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5U41
 | | Human PPARdelta ligand-binding domain in complexed with specific agonist 16 | | Descriptor: | 6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ... | | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | | Deposit date: | 2016-12-03 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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