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4DDS	CTX-M-9 class A beta-lactamase complexed with compound 11 Descriptor: 3-(pyrimidin-2-yl)-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 (1.36 Å) Cite: Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DEU	Crystal Structure of the Wild Type TTR Binding Naringenin (TTRwt:NAR) Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, NARINGENIN, ... Authors: Trivella, D.B.B, Polikarpov, I. Deposit date: 2012-01-22 Release date: 2012-11-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.599 Å) Cite: Flavonoid interactions with human transthyretin: Combined structural and thermodynamic analysis. J.Struct.Biol., 180, 2012
4DV7	Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, A915G, bound with streptomycin Descriptor: 16S rRNA, MAGNESIUM ION, STREPTOMYCIN, ... Authors: Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. Deposit date: 2012-02-22 Release date: 2013-02-27 Method: X-RAY DIFFRACTION (3.294 Å) Cite: A structural basis for streptomycin resistance To be Published
4DXD	Staphylococcal Aureus FtsZ in complex with 723 Descriptor: 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE Authors: Lu, J, Soisson, S.M. Deposit date: 2012-02-27 Release date: 2012-05-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics. Sci Transl Med, 4, 2012
4DH6	Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide Descriptor: (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ... Authors: Sickmier, E.A. Deposit date: 2012-01-27 Release date: 2012-04-18 Last modified: 2013-07-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid. J.Med.Chem., 55, 2012
4DXL	Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abscessus, bound to CMP and ATP Descriptor: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-02-27 Release date: 2012-03-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4DUH	Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor Descriptor: 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B Authors: Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D. Deposit date: 2012-02-22 Release date: 2012-08-01 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors. J.Med.Chem., 55, 2012
4DV2	Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, C912A Descriptor: 16S rRNA, MAGNESIUM ION, ZINC ION, ... Authors: Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. Deposit date: 2012-02-22 Release date: 2013-02-27 Method: X-RAY DIFFRACTION (3.646 Å) Cite: A structural basis for streptomycin resistance To be Published
4DZW	Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... Authors: Aripirala, S, Amzel, L.M, Gabelli, S.B. Deposit date: 2012-03-01 Release date: 2013-01-16 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3.05 Å) Cite: Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
4E0L	FYLLYYT segment from human Beta 2 Microglobulin (62-68) displayed on 54-membered macrocycle scaffold Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide FYLLYYT(ORN)KN(HAO)SA(ORN) Authors: Zhao, M, Liu, C, Michael, S.R, Eisenberg, D. Deposit date: 2012-03-04 Release date: 2012-12-19 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
4DX6	Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop Descriptor: Acriflavine resistance protein B, DARPIN, DODECYL-BETA-D-MALTOSIDE Authors: Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M. Deposit date: 2012-02-27 Release date: 2012-05-02 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop. Proc.Natl.Acad.Sci.USA, 109, 2012
4DZO	Structure of Human Mad1 C-terminal Domain Reveals Its Involvement in Kinetochore Targeting Descriptor: Mitotic spindle assembly checkpoint protein MAD1 Authors: Luo, X, Sun, H, Tomchick, D.R. Deposit date: 2012-03-01 Release date: 2012-04-11 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Structure of human Mad1 C-terminal domain reveals its involvement in kinetochore targeting. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3J	Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl benzene sulfonamide boronic acid inhibitor Descriptor: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.7999 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3X	Crystal Structure of Mus musculus 1-pyrroline-5-carboxylate dehydrogenase cryoprotected in proline Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, ... Authors: Tanner, J.J, Pemberton, T.A. Deposit date: 2012-03-10 Release date: 2012-07-25 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Proline: Mother Nature's cryoprotectant applied to protein crystallography. Acta Crystallogr.,Sect.D, 68, 2012
4DE0	CTX-M-9 class A beta-lactamase complexed with compound 16 Descriptor: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide Authors: Nichols, D.N, Chen, Y. Deposit date: 2012-01-19 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DEF	Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis Descriptor: ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ... Authors: Capodagli, G.C, Pegan, S.D. Deposit date: 2012-01-20 Release date: 2013-01-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis. Biochemistry, 52, 2013
4DAY	Crystal structure of the RMI core complex with MM2 peptide from FANCM Descriptor: Fanconi anemia group M protein, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2 Authors: Hoadley, K.A, Keck, J.L. Deposit date: 2012-01-13 Release date: 2012-03-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Defining the molecular interface that connects the Fanconi anemia protein FANCM to the Bloom syndrome dissolvasome. Proc.Natl.Acad.Sci.USA, 109, 2012
4DG1	Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... Authors: Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G. Deposit date: 2012-01-24 Release date: 2012-06-20 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.15 Å) Cite: HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors. J.Biol.Chem., 287, 2012
4DGQ	Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia Descriptor: 1,2-ETHANEDIOL, Non-heme chloroperoxidase Authors: Gardberg, A.S, Edwards, T.E, Abendroth, J.A, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-01-26 Release date: 2012-03-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of Non-heme chloroperoxidase from Burkholderia cenocepacia To be Published
4DIX	Crystal structure of the Ig-PH domain of actin-binding protein SCAB1 Descriptor: MALONATE ION, Plectin-related protein Authors: Zhang, W, Ye, K. Deposit date: 2012-02-01 Release date: 2012-02-29 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Plant actin-binding protein SCAB1 is dimeric actin cross-linker with atypical pleckstrin homology domain J.Biol.Chem., 287, 2012
4DLU	H-Ras Set 1 Ca(OAc)2, on Descriptor: ACETATE ION, 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 (1.6 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
4DO4	Pharmacological chaperones for human alpha-N-acetylgalactosaminidase Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... 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 (1.4 Å) Cite: Pharmacological chaperones for human alpha-N-acetylgalactosaminidase Proc.Natl.Acad.Sci.USA, 109, 2012
4DOR	Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1 Descriptor: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0 group B member 2, Nuclear receptor subfamily 5 group A member 2 Authors: Musille, P.M, Ortlund, E.A. Deposit date: 2012-02-10 Release date: 2012-04-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation. Nat.Struct.Mol.Biol., 19, 2012
4DQ6	Crystal structure of PLP-bound putative aminotransferase from Clostridium difficile 630 Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Putative pyridoxal phosphate-dependent transferase Authors: Shabalin, I.G, Onopriyenko, O, Kudritska, M, Chruszcz, M, Grimshaw, S, Porebski, P.J, Cooper, D.R, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2012-02-15 Release date: 2012-02-29 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal structures of putative aminotransferase from Clostridium difficile 630 to be published
4WPI	Crystal structure of USP7 ubiquitin-like domains in extended conformation Descriptor: CHLORIDE ION, ICP0, Ubiquitin carboxyl-terminal hydrolase 7 Authors: Pfoh, R, Lacdao, I.K.L, Saridakis, V. Deposit date: 2014-10-18 Release date: 2015-06-17 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Crystal Structure of USP7 Ubiquitin-like Domains with an ICP0 Peptide Reveals a Novel Mechanism Used by Viral and Cellular Proteins to Target USP7. Plos Pathog., 11, 2015

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