4LI7
 
 | | TANKYRASE-1 complexed with small molecule inhibitor 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide | | Descriptor: | 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide, SODIUM ION, SULFATE ION, ... | | Authors: | Kirby, C.A, Stams, T. | | Deposit date: | 2013-07-02 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
|
|
3UT9
 | | Crystal Structure of Nucleosome Core Particle Assembled with a Palindromic Widom '601' Derivative (NCP-601L) | | Descriptor: | 145-mer DNA, CHLORIDE ION, Histone H2A, ... | | Authors: | Chua, E.Y.D, Vasudevan, D, Davey, G.E, Wu, B, Davey, C.A. | | Deposit date: | 2011-11-25 | | Release date: | 2012-04-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanics behind DNA sequence-dependent properties of the nucleosome
Nucleic Acids Res., 40, 2012
|
|
1ND4
 | | Crystal structure of aminoglycoside-3'-phosphotransferase-IIa | | Descriptor: | ACETATE ION, Aminoglycoside 3'-phosphotransferase, KANAMYCIN A, ... | | Authors: | Nurizzo, D, Shewry, S.C, Baker, E.N, Smith, C.A. | | Deposit date: | 2002-12-06 | | Release date: | 2003-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of aminoglycoside-3'-phosphotransferase-IIa, an enzyme responsible for antibiotic resistance
J.Mol.Biol., 327, 2003
|
|
2NXD
 | |
4L80
 | | Crystal Structure of Chloroflexus aurantiacus malyl-CoA lyase in complex with magnesium, oxalate, and propionyl-CoA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ... | | Authors: | Zarzycki, J, Kerfeld, C.A. | | Deposit date: | 2013-06-15 | | Release date: | 2013-12-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.008 Å) | | Cite: | The crystal structures of the tri-functional Chloroflexus aurantiacus and bi-functional Rhodobacter sphaeroides malyl-CoA lyases and comparison with CitE-like superfamily enzymes and malate synthases.
Bmc Struct.Biol., 13, 2013
|
|
4LCJ
 | | CtBP2 in complex with substrate MTOB | | Descriptor: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. | | Deposit date: | 2013-06-21 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design.
Febs Lett., 588, 2014
|
|
3UTA
 | | Crystal Structure of Nucleosome Core Particle Assembled with an Alpha-Satellite Sequence Containing Two TTAAA elements (NCP-TA2) | | Descriptor: | 145-mer DNA, CHLORIDE ION, Histone H2A, ... | | Authors: | Chua, E.Y.D, Vasudevan, D, Davey, G.E, Wu, B, Davey, C.A. | | Deposit date: | 2011-11-25 | | Release date: | 2012-04-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The mechanics behind DNA sequence-dependent properties of the nucleosome
Nucleic Acids Res., 40, 2012
|
|
4FFY
 | | Crystal structure of DENV1-E111 single chain variable fragment bound to DENV-1 DIII, strain 16007. | | Descriptor: | CHLORIDE ION, DENV1-E111 single chain variable fragment (heavy chain), DENV1-E111 single chain variable fragment (light chain), ... | | Authors: | Austin, S.K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-06-01 | | Release date: | 2012-06-20 | | Last modified: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of Differential Neutralization of DENV-1 Genotypes by an Antibody that Recognizes a Cryptic Epitope.
Plos Pathog., 8, 2012
|
|
2O6C
 | | Structure of selenomethionyl rTp34 from Treponema pallidum | | Descriptor: | 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ... | | Authors: | Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V. | | Deposit date: | 2006-12-07 | | Release date: | 2006-12-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin.
J.Biol.Chem., 282, 2007
|
|
3MGS
 | |
3V4K
 | | First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G | | Descriptor: | CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3G, MAGNESIUM ION, ... | | Authors: | Shandilya, S.M.D, Ali, A, Schiffer, C.A. | | Deposit date: | 2011-12-15 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Acs Chem.Biol., 7, 2012
|
|
1PX2
 | | Crystal Structure of Rat Synapsin I C Domain Complexed to Ca.ATP (Form 1) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Synapsin I | | Authors: | Brautigam, C.A, Chelliah, Y, Deisenhofer, J. | | Deposit date: | 2003-07-02 | | Release date: | 2004-03-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Tetramerization and ATP binding by a protein comprising the A, B, and C domains of rat synapsin I.
J.Biol.Chem., 279, 2004
|
|
6BNS
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | | Deposit date: | 2017-11-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
|
|
3MJE
 | | Structure of A-type Ketoreductases from Modular Polyketide Synthase | | Descriptor: | AmphB, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, J, Taylor, C.A, Piasecki, S.K, Keatinge-Clay, A.T. | | Deposit date: | 2010-04-12 | | Release date: | 2010-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural and Functional Analysis of A-Type Ketoreductases from the Amphotericin Modular Polyketide Synthase.
Structure, 18, 2010
|
|
4JF5
 | | Structure of OXA-23 at pH 4.1 | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CITRATE ANION | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2013-02-27 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural Basis for Carbapenemase Activity of the OXA-23 beta-Lactamase from Acinetobacter baumannii.
Chem.Biol., 20, 2013
|
|
3M5R
 | |
2OIX
 | | Xanthomonas XopD C470A Mutant | | Descriptor: | Xanthomonas outer protein D | | Authors: | Chosed, R, Tomchick, D.R, Brautigam, C.A, Machius, M, Orth, K. | | Deposit date: | 2007-01-11 | | Release date: | 2007-05-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of Xanthomonas XopD provides insights into substrate specificity of ubiquitin-like protein proteases.
J.Biol.Chem., 282, 2007
|
|
3M7U
 | |
2G06
 | | X-ray structure of mouse pyrimidine 5'-nucleotidase type 1, with bound magnesium(II) | | Descriptor: | Cytosolic 5'-nucleotidase III, MAGNESIUM ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID) | | Authors: | Bitto, E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2006-02-11 | | Release date: | 2006-04-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of pyrimidine 5'-nucleotidase type 1. Insight into mechanism of action and inhibition during lead poisoning.
J.Biol.Chem., 281, 2006
|
|
2N91
 | | A key amino acid in the control of different functional behavior within the triheme cytochrome family from Geobacter sulfurreducens | | Descriptor: | Cytochrome C, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dantas, J.M, Simoes, T, Bruix, M, Salgueiro, C.A. | | Deposit date: | 2015-11-02 | | Release date: | 2016-09-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Unveiling the Structural Basis That Regulates the Energy Transduction Properties within a Family of Triheme Cytochromes from Geobacter sulfurreducens.
J.Phys.Chem.B, 120, 2016
|
|
6DH2
 | | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass6 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
|
|
4JVZ
 | | Structure of Thermosynechococcus elongatus CcmL | | Descriptor: | Carbon dioxide concentrating mechanism protein, SULFATE ION | | Authors: | Sutter, M, Kerfeld, C.A. | | Deposit date: | 2013-03-26 | | Release date: | 2013-09-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Two new high-resolution crystal structures of carboxysome pentamer proteins reveal high structural conservation of CcmL orthologs among distantly related cyanobacterial species.
Photosynth.Res., 118, 2013
|
|
3UBY
 | | Crystal structure of human alklyadenine DNA glycosylase in a lower and higher-affinity complex with DNA | | Descriptor: | DNA (5'-D(*GP*AP*CP*AP*TP*GP*(EDC)P*TP*TP*GP*CP*CP*T)-3'), DNA-3-methyladenine glycosylase | | Authors: | Setser, J.W, Lingaraju, G.M, Davis, C.A, Samson, L.D, Drennan, C.L. | | Deposit date: | 2011-10-25 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Searching for DNA lesions: structural evidence for lower- and higher-affinity DNA binding conformations of human alkyladenine DNA glycosylase.
Biochemistry, 51, 2012
|
|
6DIT
 | | Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19) | | Descriptor: | NS3 protease, ZINC ION, pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, ... | | Authors: | Matthew, A.N, Schiffer, C.A. | | Deposit date: | 2018-05-23 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
|
|
3NI9
 | | GES-2 carbapenemase apo form | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-2 | | Authors: | Frase, H, Smith, C.A, Toth, M, Vakulenko, S.B. | | Deposit date: | 2010-06-15 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and structural requirements for carbapenemase activity in GES-type beta-lactamases.
Biochemistry, 54, 2015
|
|
