4EQZ
 
 | | Crystal structure of human DOT1L in complex with inhibitor FED2 | | Descriptor: | 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-04-19 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
|
|
6FPI
 | | Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q | | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | | Deposit date: | 2018-02-09 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
|
|
8DSW
 | |
6T2K
 | | Furano[2,3-d]prymidine amides as Notum inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2019-10-08 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
4ZM5
 | | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant | | Descriptor: | CHLORIDE ION, Chain length determinant protein, MAGNESIUM ION | | Authors: | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | | Deposit date: | 2015-05-02 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri.
Plos One, 10, 2015
|
|
3P0Q
 | | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | | Descriptor: | N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine, SODIUM ION, 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
|
|
1Y33
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58P mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-23 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
|
|
2CK3
 | | Azide inhibited bovine F1-ATPase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA, MITOCHONDRIAL, ... | | Authors: | Bowler, M.W, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 2006-04-10 | | Release date: | 2006-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | How Azide Inhibits ATP Hydrolysis by the F-Atpases.
Proc.Natl.Acad.Sci.USA, 103, 2006
|
|
2XCT
 | | The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA | | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3', 5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3', ... | | Authors: | Bax, B.D, Chan, P, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | | Deposit date: | 2010-04-25 | | Release date: | 2010-08-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
|
|
6GO1
 | | Crystal Structure of a Bacillus anthracis peptidoglycan deacetylase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Polysaccharide deacetylase-like protein, ... | | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | | Deposit date: | 2018-06-01 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | The putative polysaccharide deacetylase Ba0331: cloning, expression, crystallization and structure determination.
Acta Crystallogr.,Sect.F, 75, 2019
|
|
7LZ3
 | | Computational design of constitutively active cGAS | | Descriptor: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | | Deposit date: | 2021-03-08 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
|
|
4YLH
 | | Crystal structure of DpgC with bound substrate analog and Xe on oxygen diffusion pathway | | Descriptor: | DpgC, XENON, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | Authors: | Li, K, Di Russo, N.V, Condurso, H.L, Roitberg, A.E, Bruner, S.D. | | Deposit date: | 2015-03-05 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Oxygen diffusion pathways in a cofactor-independent dioxygenase.
Chem Sci, 6, 2015
|
|
3HJY
 | | Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA | | Descriptor: | 5'-R(*GP*GP*AP*GP*CP*GP*UP*GP*CP*GP*GP*UP*UP*U)-3', 5'-R(*GP*GP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*CP*CP*GP*CP*GP*GP*CP*GP*C)-3', RNA (25-MER), ... | | Authors: | Liang, B, Zhou, J, Kahen, E, Terns, R.M, Terns, M.P, Li, H. | | Deposit date: | 2009-05-22 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA
Nat.Struct.Mol.Biol., 16, 2009
|
|
4YWC
 | | Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide | | Descriptor: | Protein TIFY 7, Transcription factor MYC3 | | Authors: | Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y. | | Deposit date: | 2015-03-20 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
|
|
7ZNZ
 | | Crystal structure of unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | | Descriptor: | FucOB, a GH95 family alpha-1,2-fucosidase, GLYCEROL | | Authors: | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | | Deposit date: | 2022-04-23 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Turning universal O into rare Bombay type blood.
Nat Commun, 14, 2023
|
|
6MYZ
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ520 | | Descriptor: | 1,2-ETHANEDIOL, 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-02 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.661 Å) | | Cite: | Structure of Tdp1 catalytic domain in complex with compound XZ520
To Be Published
|
|
6EML
 | | Cryo-EM structure of a late pre-40S ribosomal subunit from Saccharomyces cerevisiae | | Descriptor: | 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ... | | Authors: | Heuer, A, Thomson, E, Schmidt, C, Berninghausen, O, Becker, T, Hurt, E, Beckmann, R. | | Deposit date: | 2017-10-02 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of a late pre-40S ribosomal subunit fromSaccharomyces cerevisiae.
Elife, 6, 2017
|
|
7ZIU
 | |
7ZO0
 | | Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | | Descriptor: | GH95 family alpha-1,2-fucosidase, GLYCEROL | | Authors: | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | | Deposit date: | 2022-04-23 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Turning universal O into rare Bombay type blood.
Nat Commun, 14, 2023
|
|
8F21
 | | Structure of a 30mer DegP cage bound to the client protein hTRF1 | | Descriptor: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | | Authors: | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | | Deposit date: | 2022-11-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (14.1 Å) | | Cite: | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP.
J.Am.Chem.Soc., 145, 2023
|
|
8F0A
 | | Client-bound structure of a DegP trimer within a 12mer cage | | Descriptor: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | | Authors: | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | | Deposit date: | 2022-11-02 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP.
J.Am.Chem.Soc., 145, 2023
|
|
4Y7L
 | | T6SS protein TssM C-terminal domain (869-1107) from EAEC | | Descriptor: | GLYCEROL, Type VI secretion protein IcmF, ZINC ION | | Authors: | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | | Deposit date: | 2015-02-15 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
|
|
8F1T
 | | Structure of an 18mer DegP cage bound to the client protein hTRF1 | | Descriptor: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | | Authors: | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | | Deposit date: | 2022-11-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (12.1 Å) | | Cite: | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP.
J.Am.Chem.Soc., 145, 2023
|
|
8F1U
 | | Structure of a 24mer DegP cage bound to the client protein hTRF1 | | Descriptor: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | | Authors: | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | | Deposit date: | 2022-11-06 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (13.8 Å) | | Cite: | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP.
J.Am.Chem.Soc., 145, 2023
|
|
6N19
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ578 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-08 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
|
|
