8G68
 
 | | Wildtype PTP1b in complex with DES5742 | | Descriptor: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G65
 | | Wildtype PTP1b in complex with DES4799 | | Descriptor: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography.
J.Chem.Inf.Model., 63, 2023
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8G45
 | | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe | | Descriptor: | 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION | | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
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1IBK
 | | STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH THE ANTIBIOTIC PAROMOMYCIN | | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Ogle, J.M, Brodersen, D.E, Clemons Jr, W.M, Tarry, M.J, Carter, A.P, Ramakrishnan, V. | | Deposit date: | 2001-03-28 | | Release date: | 2001-05-04 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Recognition of cognate transfer RNA by the 30S ribosomal subunit.
Science, 292, 2001
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8G43
 | | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | | Descriptor: | 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
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5M1W
 | | Structure of a stable G-hairpin | | Descriptor: | DNA (5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3') | | Authors: | Gajarsky, M, Zivkovic, M.L, Stadlbauer, P, Pagano, B, Fiala, R, Amato, J, Tomaska, L, Sponer, J, Plavec, J, Trantirek, L. | | Deposit date: | 2016-10-11 | | Release date: | 2017-03-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of a Stable G-Hairpin.
J. Am. Chem. Soc., 139, 2017
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5GVY
 | | Crystal structure of SALT protein from Oryza sativa | | Descriptor: | Salt stress-induced protein, alpha-D-mannopyranose | | Authors: | Sharma, P, Sagar, A, Kaur, N, Sharma, I, Kirat, K, Ashish, F.N.U, Pati, P.K. | | Deposit date: | 2016-09-07 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | Structural insights into rice SalTol QTL located SALT protein.
Sci Rep, 10, 2020
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6FKX
 | | Crystal structure of an acetyl xylan esterase from a desert metagenome | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl xylan esterase, FORMIC ACID, ... | | Authors: | Adesioye, F.A, Makhalanyane, T.P, Vikram, S, Sewell, B.T, Schubert, W, Cowan, D.A. | | Deposit date: | 2018-01-24 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural Characterization and Directed Evolution of a Novel Acetyl Xylan Esterase Reveals Thermostability Determinants of the Carbohydrate Esterase 7 Family.
Appl. Environ. Microbiol., 84, 2018
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5TS0
 | | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2208 | | Descriptor: | (2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name), Proteasome subunit alpha, Proteasome subunit beta | | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.84679747 Å) | | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
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8G44
 | | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | | Descriptor: | 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-08 | | Release date: | 2023-05-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
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5UDZ
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8X1V
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6SF7
 | | Atomic resolution structure of SplF protease from Staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Golik, P, Stach, N, Karim, A, Dubin, G. | | Deposit date: | 2019-08-01 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Determinants of Substrate Specificity of SplF Protease from Staphylococcus aureus .
Int J Mol Sci, 22, 2021
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5UEM
 | | Crystal structure of 354NC37 Fab in complex with HIV-1 clade AE strain 93TH057 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 354NC37 Fab Heavy Chain, ... | | Authors: | Sievers, S.A, Gristick, H.B, Bjorkman, P.J. | | Deposit date: | 2017-01-02 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller.
Sci Transl Med, 9, 2017
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8VRX
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5NN0
 | | Crystal structure of huBChE with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2-naphthamide. | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Brus, B, Colletier, J.P. | | Deposit date: | 2017-04-07 | | Release date: | 2018-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity.
J. Med. Chem., 61, 2018
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8VSY
 | | Bile salt hydrolase from Arthrobacter citreus with covalent inhibitor AAA-10 bound | | Descriptor: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name), Bile salt hydrolase, CHLORIDE ION, ... | | Authors: | Dhindwal, P, Ruzzini, A. | | Deposit date: | 2024-01-24 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bile salt hydrolase from Arthrobacter citreus with covalent inhibitor AAA-10 bound
To Be Published
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8WU2
 | | Crystal structure of RNA-dependent RNA polymerases from Jingmen tick virus | | Descriptor: | RNA polymerase, SELENIUM ATOM | | Authors: | Liu, Z, Han, P, Peng, Q, Qi, J. | | Deposit date: | 2023-10-20 | | Release date: | 2024-02-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of RNA-dependent RNA polymerases from Jingmen tick virus and Alongshan virus
HLIFE, 2, 2024
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6H07
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Nowotny, P, Biggel, P, Schneider, S, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2018-07-06 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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1S1K
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8Q3R
 | | Cryo-EM structure of the DNA polymerase holoenzyme E9-A20-D4 of vaccinia virus | | Descriptor: | DNA polymerase, DNA polymerase processivity factor component OPG148, Uracil-DNA glycosylase | | Authors: | Burmeister, W.P, Ballandras-Colas, A, Boettcher, B, Grimm, C. | | Deposit date: | 2023-08-04 | | Release date: | 2024-05-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure and flexibility of the DNA polymerase holoenzyme of vaccinia virus.
Plos Pathog., 20, 2024
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6SSN
 | | RNASE 3/1 version3 | | Descriptor: | GLYCEROL, PHOSPHATE ION, RNase 3/1 version3 | | Authors: | Fernandez-Millan, P, Prats-Ejarque, G, Vazquez-Monteagudo, S, Boix, E. | | Deposit date: | 2019-09-08 | | Release date: | 2021-10-06 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.511 Å) | | Cite: | Exploring the RNase A scaffold to combine catalytic and antimicrobial activities. Structural characterization of RNase 3/1 chimeras.
Front Mol Biosci, 9, 2022
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2WG1
 | | TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | | Deposit date: | 2009-04-15 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
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8VUW
 | | ELIC5 with cysteamine in 2:1:1 POPC:POPE:POPG nanodisc in open conformation | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-AMINO-ETHANETHIOL, Erwinia chrysanthemi ligand-gated ion channel | | Authors: | Petroff II, J.T, Deng, Z, Rau, M.J, Fitzpatrick, J.A.J, Yuan, P, Cheng, W.W.L. | | Deposit date: | 2024-01-29 | | Release date: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Open-channel structure of a pentameric ligand-gated ion channel reveals a mechanism of leaflet-specific phospholipid modulation.
Nat Commun, 13, 2022
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2VR6
 | | Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.3 A resolution | | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | | Authors: | Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-03-28 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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