4E0X
 
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4DIZ
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4DBU
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid | | Descriptor: | 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.528 Å) | | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
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4DJU
 | | Structure of BACE Bound to 2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | | Descriptor: | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2012-02-02 | | Release date: | 2012-03-21 | | Last modified: | 2012-04-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
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4DKV
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-10007 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | | Authors: | Kwon, Y.D, Debnath, A.K, Kwong, P.D. | | Deposit date: | 2012-02-04 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1847 Å) | | Cite: | Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study.
Antimicrob. Agents Chemother., 58, 2014
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4DLV
 | | H-Ras Set 2 CaCl2/DTT, ordered off | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ... | | Authors: | Holzapfel, G, Mattos, C. | | Deposit date: | 2012-02-06 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.572 Å) | | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
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5UGQ
 | | Crystal Structure of Hip1 (Rv2224c) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2017-01-09 | | Release date: | 2017-04-12 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
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4DN1
 | | Crystal structure of an ENOLASE (mandelate racemase subgroup member) from Agrobacterium tumefaciens (target EFI-502088) with bound mg and formate | | Descriptor: | CHLORIDE ION, FORMIC ACID, Isomerase/lactonizing enzyme, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Bouvier, J.T, Wasserman, S.R, Morisco, L.L, Sojitra, S, Al Obaidi, N.F, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-08 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of an enolase (mandelate racemase subgroup member) from Agrobacterium tumefaciens (target EFI-502088) with bound mg and formate
to be published
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4DE3
 | | CTX-M-9 class A beta-lactamase complexed with compound 4 | | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE | | Authors: | Nichols, D.A, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4DEC
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and phosphoglyceric acid (PGA) | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL, ... | | Authors: | Albesa-Jove, D, Urresti, S, van der Woerd, M, Guerin, M.E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
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4DPP
 | | The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana | | Descriptor: | Dihydrodipicolinate synthase 2, chloroplastic, SODIUM ION | | Authors: | Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G. | | Deposit date: | 2012-02-14 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana
Plos One, 7, 2012
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4DEW
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4DR1
 | | Crystal structure of the apo 30S ribosomal subunit from Thermus thermophilus (HB8) | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2012-02-16 | | Release date: | 2012-11-14 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | A structural basis for streptomycin-induced misreading of the genetic code.
Nat Commun, 4, 2013
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4DJX
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4DKU
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-09027 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | | Authors: | Kwon, Y.D, Debnath, A.K, Kwong, P.D. | | Deposit date: | 2012-02-04 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4902 Å) | | Cite: | Binding mode characterization of NBD series CD4-mimetic HIV-1 entry inhibitors by X-ray structure and resistance study.
Antimicrob. Agents Chemother., 58, 2014
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4DLC
 | | Crystal Structure of Trypanosoma brucei dUTPase with dUMP, MgF3- transition state analogue, and Mg2+ | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION, ... | | Authors: | Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2012-02-06 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.759 Å) | | Cite: | On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013
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4DVK
 | | Crystal structure of the glycoprotein Erns from the pestivirus BVDV-1 strain NCP-7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E(rns) glycoprotein, ... | | Authors: | Krey, T, Bontems, F, Vonrhein, C, Vaney, M.-C, Bricogne, G, Ruemenapf, T, Rey, F.A. | | Deposit date: | 2012-02-23 | | Release date: | 2012-05-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Structure, 20, 2012
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4DVR
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4DO5
 | | Pharmacological chaperones for human alpha-N-acetylgalactosaminidase | | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Clark, N.E, Garman, S.C. | | Deposit date: | 2012-02-09 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Pharmacological chaperones for human alpha-N-acetylgalactosaminidase
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DW8
 | | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I | | Descriptor: | Haloacid dehalogenase-like hydrolase, SODIUM ION, UNKNOWN LIGAND | | Authors: | Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-24 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.502 Å) | | Cite: | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I
To be Published
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4DWE
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4DWS
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4DQG
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4DQP
 | | Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and ddCTP (paired with dG of template) | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*C*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ... | | Authors: | Wang, W, Beese, L.S. | | Deposit date: | 2012-02-16 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
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5UIM
 | | X-ray structure of the FdtF N-formyltransferase from salmonella enteric O60 in complex with folinic acid and TDP-Qui3N | | Descriptor: | Formyltransferase, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, POTASSIUM ION, ... | | Authors: | Woodford, C.R, Thoden, J.B, Holden, H.M. | | Deposit date: | 2017-01-14 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular architecture of an N-formyltransferase from Salmonella enterica O60.
J. Struct. Biol., 200, 2017
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