6HSM
 
 | | Structure of partially reduced RsrR in space group P2(1)2(1)2(1) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2018-10-01 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Transcription Regulator RsrR Reveals a [2Fe-2S] Cluster Coordinated by Cys, Glu, and His Residues.
J. Am. Chem. Soc., 141, 2019
|
|
1U6N
 | | Solution Structure of an Oligodeoxynucleotide Containing a Butadiene Derived N1 b-Hydroxyalkyl Adduct on Deoxyinosine in the Human N-ras Codon 61 Sequence | | Descriptor: | 5'-D(*CP*GP*GP*AP*CP*(2BD)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3' | | Authors: | Scholdberg, T.A, Merritt, W.K, Dean, S.M, Kowalcyzk, A, Harris, T.M, Harris, C.M, Lloyd, R.S, Stone, M.P. | | Deposit date: | 2004-07-30 | | Release date: | 2004-08-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of an Oligodeoxynucleotide Containing a Butadiene Oxide-Derived N1 Beta-Hydroxyalkyl Deoxyinosine Adduct in the Human N-ras Codon 61 Sequence.
Biochemistry, 44, 2005
|
|
6BZR
 | | Human ABCC6 NBD2 in ADP-bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CITRIC ACID, Multidrug resistance-associated protein 6 | | Authors: | Zheng, A, Thibodeau, P.H. | | Deposit date: | 2017-12-25 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.79999447 Å) | | Cite: | Structures of human ABCC6 NBD1 and NBD2
To Be Published
|
|
1CAH
 | |
4NO7
 | | Human Glucokinase in complex with a nanomolar activator. | | Descriptor: | (2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide, Glucokinase, alpha-D-glucopyranose | | Authors: | Petit, P, Ferry, G, Antoine, M, Boutin, J.A, Kotschy, A, Perron-Sierra, F, Mamelli, L, Vuillard, L. | | Deposit date: | 2013-11-19 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The active conformation of human glucokinase is not altered by allosteric activators.
Acta Crystallogr. D Biol. Crystallogr., 67, 2011
|
|
6HZ6
 | | Structure of McrBC without DNA binding domains (Class 2) | | Descriptor: | 5-methylcytosine-specific restriction enzyme B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Itoh, Y, Nirwan, N, Saikrishnan, K, Amunts, A. | | Deposit date: | 2018-10-22 | | Release date: | 2019-07-24 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure-based mechanism for activation of the AAA+ GTPase McrB by the endonuclease McrC.
Nat Commun, 10, 2019
|
|
4YDG
 | | Crystal structure of compound 10 in complex with HTLV-1 Protease | | Descriptor: | HTLV-1 protease, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), SULFATE ION | | Authors: | Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E. | | Deposit date: | 2015-02-22 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015
|
|
4YGF
 | | Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ... | | Authors: | Roujeinikova, A, Modak, J.K. | | Deposit date: | 2015-02-26 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Plos One, 10, 2015
|
|
6I01
 | | Structure of human D-glucuronyl C5 epimerase in complex with substrate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Debarnot, C, Monneau, Y.R, Roig-Zamboni, V, Le Narvor, C, Goulet, A, Fadel, F, Vives, R.R, Bonnaffe, D, Lortat-Jacob, H, Bourne, Y. | | Deposit date: | 2018-10-24 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
4YH3
 | | Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a) | | Descriptor: | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | White, A, Lakshminarasimhan, D, Suto, R.K. | | Deposit date: | 2015-02-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
4YWH
 | | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE | | Descriptor: | ABC TRANSPORTER SOLUTE BINDING PROTEIN, beta-D-xylopyranose | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-03-20 | | Release date: | 2015-04-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE
To be published
|
|
5MXY
 | | KustC0563 c-type cytochrome | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cytochrome c-552 Ks_3358, ... | | Authors: | Mohd, A, Barends, T. | | Deposit date: | 2017-01-25 | | Release date: | 2018-02-14 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Specificity of Small c -Type Cytochromes in Anaerobic Ammonium Oxidation.
Acs Omega, 6, 2021
|
|
6BQ8
 | | Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one, STRONTIUM ION, ... | | Authors: | Kim, C, Kovalevsky, A, Gerlits, O. | | Deposit date: | 2017-11-27 | | Release date: | 2018-03-21 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | Cite: | Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator.
Biochemistry, 57, 2018
|
|
6H8F
 | | Fragment of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | | Descriptor: | TssA | | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | | Deposit date: | 2018-08-02 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
|
|
6H8L
 | | Structure of peptidoglycan deacetylase PdaC from Bacillus subtilis | | Descriptor: | L(+)-TARTARIC ACID, Peptidoglycan-N-acetylmuramic acid deacetylase PdaC, ZINC ION | | Authors: | Sainz-Polo, M.A, Grifoll-Romero, L, Albesa-Jove, D, Planas, A, Guerin, M.E. | | Deposit date: | 2018-08-02 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structure-function relationships underlying the dualN-acetylmuramic andN-acetylglucosamine specificities of the bacterial peptidoglycan deacetylase PdaC.
J.Biol.Chem., 294, 2019
|
|
4YIC
 | | CRYSTAL STRUCTURE OF A TRAP TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BORDETELLA BRONCHISEPTICA RB50 (BB0280, TARGET EFI-500035) WITH BOUND PICOLINIC ACID | | Descriptor: | ACETATE ION, CALCIUM ION, IMIDAZOLE, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-03-01 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | CRYSTAL STRUCTURE OF A TRAP TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BORDETELLA BRONCHISEPTICA RB50 (BB0280, TARGET EFI-500035) WITH BOUND PICOLINIC ACID
To be published
|
|
6H96
 | | AlbA-albicidin complex, albicidin resistance protein | | Descriptor: | 4-[[4-[[4-[(3~{S})-5-azanyl-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{H}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, Albicidin resistance protein, SULFATE ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2018-08-03 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
|
|
6HAP
 | | Adenylate kinase | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | | Authors: | Kantaev, R, Inbal, R, Goldenzweig, A, Barak, Y, Dym, O, Peleg, Y, Albek, S, Fleishman, S.J, Haran, G. | | Deposit date: | 2018-08-08 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Manipulating the Folding Landscape of a Multidomain Protein.
J.Phys.Chem.B, 122, 2018
|
|
1RZV
 | | Crystal structure of the glycogen synthase from Agrobacterium tumefaciens (non-complexed form) | | Descriptor: | Glycogen synthase 1 | | Authors: | Buschiazzo, A, Guerin, M.E, Ugalde, J.E, Ugalde, R.A, Shepard, W, Alzari, P.M. | | Deposit date: | 2003-12-29 | | Release date: | 2004-08-31 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of glycogen synthase: homologous enzymes catalyze glycogen synthesis and degradation.
Embo J., 23, 2004
|
|
6HBS
 | |
6HXB
 | | SERCA2a from pig heart | | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | Authors: | Sitsel, A, Andersen, J.L, Nissen, P, Olesen, C. | | Deposit date: | 2018-10-16 | | Release date: | 2019-02-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structures of the heart specific SERCA2a Ca 2+ -ATPase.
Embo J., 38, 2019
|
|
6HYF
 | |
4YDF
 | | Crystal structure of compound 9 in complex with HTLV-1 Protease | | Descriptor: | HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION | | Authors: | Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E. | | Deposit date: | 2015-02-22 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015
|
|
6H95
 | | AlbA, albicidin resistance protein | | Descriptor: | Albicidin resistance protein | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2018-08-03 | | Release date: | 2018-11-21 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
|
|
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
|
|
