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1GG5	CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A RESOLUTION Descriptor: 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 Authors: Faig, M, Bianchet, M.A, Winski, S, Hargreaves, R, Moody, C.J, Hudnott, A.R, Ross, D, Amzel, L.M. Deposit date: 2000-07-12 Release date: 2001-09-12 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure-based development of anticancer drugs: complexes of NAD(P)H:quinone oxidoreductase 1 with chemotherapeutic quinones. Structure, 9, 2001
5D8Q	2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa Descriptor: ARSENIC, Ferroxidase, MAGNESIUM ION, ... Authors: Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. Deposit date: 2015-08-17 Release date: 2015-09-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
5UKZ	NMR Solution structure of chemically synthesized antilisterial Pediocin PA-1 M31L analog. Descriptor: Bacteriocin pediocin PA-1 M31L Authors: Bedard, F, Hammami, R, Zirah, S, Rebuffat, S, Fliss, I, Biron, E. Deposit date: 2017-01-23 Release date: 2018-06-27 Method: SOLUTION NMR Cite: Synthesis, antimicrobial activity and conformational analysis of the class IIa bacteriocin pediocin PA-1 and analogs thereof. Sci Rep, 8, 2018
6TZ4	CryoEM reconstruction of membrane-bound ESCRT-III filament composed of CHMP1B+IST1 (right-handed) Descriptor: Charged multivesicular body protein 1b, IST1 homolog Authors: Nguyen, H.C, Frost, A. Deposit date: 2019-08-10 Release date: 2020-04-08 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Membrane constriction and thinning by sequential ESCRT-III polymerization. Nat.Struct.Mol.Biol., 27, 2020
5D5L	PreQ1-II riboswitch with an engineered G-U wobble pair bound to Cs+ Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, CESIUM ION, MAGNESIUM ION, ... Authors: Wedekind, J.E, Liberman, J.A, Salim, M. Deposit date: 2015-08-10 Release date: 2016-08-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Cesium(I) binding to G-U-wobble base pairs in preQ1 riboswitches with implications for crystallographic phasing to be published
5DEN	The First Structure of a Full-Length Mammalian Phenylalanine Hydroxylase Reveals the Architecture of an Auto-inhibited Tetramer Descriptor: FE (III) ION, Phenylalanine-4-hydroxylase Authors: Arturo, E.C, Loll, P.J, Jaffe, E.K. Deposit date: 2015-08-25 Release date: 2016-02-17 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: First structure of full-length mammalian phenylalanine hydroxylase reveals the architecture of an autoinhibited tetramer. Proc.Natl.Acad.Sci.USA, 113, 2016
1GM6	3-D STRUCTURE OF A SALIVARY LIPOCALIN FROM BOAR Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, GLYCEROL, ... Authors: Spinelli, S, Vincent, F, Pelosi, P, Tegoni, M, Cambillau, C. Deposit date: 2001-09-11 Release date: 2002-05-30 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Boar Salivary Lipocalin. Three-Dimensional X-Ray Structure and Androsterol/Androstenone Docking Simulations. Eur.J.Biochem., 269, 2002
2O5J	Crystal structure of the T. thermophilus RNAP polymerase elongation complex with the NTP substrate analog Descriptor: 5'-D(*AP*AP*CP*GP*CP*CP*AP*GP*AP*CP*AP*GP*GP*G)-3', 5'-D(P*CP*CP*CP*TP*GP*TP*CP*TP*GP*GP*CP*GP*TP*TP*CP*GP*CP*GP*CP*GP*CP*CP*G)-3', 5'-R(P*GP*AP*GP*UP*CP*UP*GP*CP*GP*GP*CP*GP*CP*GP*CP*G)-3', ... Authors: Vassylyev, D.G, Vassylyeva, M.N. Deposit date: 2006-12-06 Release date: 2007-07-03 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural basis for substrate loading in bacterial RNA polymerase. Nature, 448, 2007
6TT6	Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain Descriptor: PD-i6 peptide Authors: Guardiola, S, Varese, M, Garcia, J, Giralt, E. Deposit date: 2019-12-23 Release date: 2021-01-13 Last modified: 2023-11-15 Method: SOLUTION NMR Cite: Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain To Be Published
5D8P	2.35A resolution structure of iron bound BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa Descriptor: ACETATE ION, FE (II) ION, Ferroxidase, ... Authors: Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. Deposit date: 2015-08-17 Release date: 2015-09-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
6T83	Structure of yeast disome (di-ribosome) stalled on poly(A) tract. Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... Authors: Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R. Deposit date: 2019-10-24 Release date: 2019-12-25 Last modified: 2020-02-12 Method: ELECTRON MICROSCOPY (4 Å) Cite: Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts. Embo J., 39, 2020
6T3K	Structure of Oceanobacillus iheyensis group II intron G-mutant (C289G/C358G/G385C) in the presence of K+, Mg2+ and 5'-exon Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC Intron Ribozyme, MAGNESIUM ION, ... Authors: Marcia, M, Pyle, A.M. Deposit date: 2019-10-11 Release date: 2020-05-13 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.44 Å) Cite: Visualizing group II intron dynamics between the first and second steps of splicing. Nat Commun, 11, 2020
6T6N	Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ... Authors: Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. Deposit date: 2019-10-18 Release date: 2020-11-18 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.5 Å) Cite: A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Bioorg.Med.Chem., 30, 2021
1GGV	CRYSTAL STRUCTURE OF THE C123S MUTANT OF DIENELACTONE HYDROLASE (DLH) BOUND WITH THE PMS MOIETY OF THE PROTEASE INHIBITOR, PHENYLMETHYLSULFONYL FLUORIDE (PMSF) Descriptor: DIENELACTONE HYDROLASE Authors: Robinson, A, Edwards, K.J, Carr, P.D, Barton, J.D, Ewart, G.D, Ollis, D.L. Deposit date: 2000-09-27 Release date: 2000-12-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure of the C123S mutant of dienelactone hydrolase (DLH) bound with the PMS moiety of the protease inhibitor phenylmethylsulfonyl fluoride (PMSF). Acta Crystallogr.,Sect.D, 56, 2000
1GLU	CRYSTALLOGRAPHIC ANALYSIS OF THE INTERACTION OF THE GLUCOCORTICOID RECEPTOR WITH DNA Descriptor: DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*CP*GP*AP*TP*GP*TP*TP*C P*TP*G)-3'), PROTEIN (GLUCOCORTICOID RECEPTOR), ZINC ION Authors: Luisi, B.F, Xu, W.X, Otwinowski, Z, Freedman, L.P, Yamamoto, K.R, Sigler, P.B. Deposit date: 1992-08-30 Release date: 1994-01-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystallographic analysis of the interaction of the glucocorticoid receptor with DNA. Nature, 352, 1991
5SZD	Crystal structure of Aquifex aeolicus Hfq at 1.5A Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... Authors: Stanek, K, Patterson, J, Randolph, P.S, Mura, C. Deposit date: 2016-08-13 Release date: 2017-04-19 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.494 Å) Cite: Crystal structure and RNA-binding properties of an Hfq homolog from the deep-branching Aquificae: conservation of the lateral RNA-binding mode. Acta Crystallogr D Struct Biol, 73, 2017
2OIG	Crystal structure of RS21-C6 core segment and dm5CTP complex Descriptor: 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), RS21-C6 Authors: Wu, B, Liu, Y, Zhao, Q, Liao, S, Zhang, J, Bartlam, M, Chen, W, Rao, Z. Deposit date: 2007-01-11 Release date: 2007-03-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Crystal Structure of RS21-C6, Involved in Nucleoside Triphosphate Pyrophosphohydrolysis J.Mol.Biol., 367, 2007
1GMK	GRAMICIDIN/KSCN COMPLEX Descriptor: GRAMICIDIN A, METHANOL, POTASSIUM ION, ... Authors: Doyle, D.A, Wallace, B.A. Deposit date: 1996-07-09 Release date: 1998-07-01 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the Gramicidin/Potassium Thiocyanate Complex. J.Mol.Biol., 266, 1997
1GG2	G PROTEIN HETEROTRIMER MUTANT GI_ALPHA_1(G203A) BETA_1 GAMMA_2 WITH GDP BOUND Descriptor: G PROTEIN GI ALPHA 1, G PROTEIN GI BETA 1, G PROTEIN GI GAMMA 2, ... Authors: Wall, M.A, Sprang, S.R. Deposit date: 1996-11-13 Release date: 1997-02-12 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.4 Å) Cite: The structure of the G protein heterotrimer Gi alpha 1 beta 1 gamma 2. Cell(Cambridge,Mass.), 83, 1995
1GJQ	Pseudomonas aeruginosa cd1 nitrite reductase reduced cyanide complex Descriptor: CYANIDE ION, HEME C, HEME D, ... Authors: Nurizzo, D, Brown, K, Tegoni, M, Cambillau, C. Deposit date: 2001-08-01 Release date: 2002-08-01 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Cyanide Binding to Cd(1) Nitrite Reductase from Pseudomonas Aeruginosa: Role of the Active-Site His369 in Ligand Stabilization. Biochem.Biophys.Res.Commun., 291, 2002
1GNJ	HUMAN SERUM ALBUMIN COMPLEXED WITH cis-5,8,11,14-EICOSATETRAENOIC ACID (ARACHIDONIC ACID) Descriptor: ARACHIDONIC ACID, SERUM ALBUMIN Authors: Petitpas, I, Gruene, T, Bhattacharya, A.A, Curry, S. Deposit date: 2001-10-05 Release date: 2002-01-01 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal Structures of Human Serum Albumin Complexed with Monounsaturated and Polyunsaturated Fatty Acids. J.Mol.Biol., 314, 2001
1GL0	structure of the complex between bovine alpha-chymotrypsin and PMP-D2v, an inhibitor from the insect Locusta migratoria Descriptor: CADMIUM ION, CHYMOTRYPSINOGEN A, PROTEASE INHIBITOR LCMI I Authors: Roussel, A, Kellenberger, C. Deposit date: 2001-08-22 Release date: 2001-11-28 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (3 Å) Cite: Complexation of Two Proteic Insect Inhibitors to the Active Site of Chymotrypsin Suggests Decoupled Roles for Binding and Selectivity J.Biol.Chem., 276, 2001
1GMZ	Crystal structure of the D49 phospholipase A2 piratoxin III from Bothrops pirajai. Descriptor: ISOPROPYL ALCOHOL, PHOSPHOLIPASE A2 Authors: Rigden, D.J, Lee, W.H, Polikarpov, I. Deposit date: 2001-09-27 Release date: 2001-11-01 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: The Structure of the D49 Phospholipase A2 Piratoxin III from Bothrops Pirajai Reveals Unprecedented Structural Displacement of the Calcium-Binding Loop: Possible Relationship to Cooperative Substrate Binding Acta Crystallogr.,Sect.D, 59, 2003
1GNI	HUMAN SERUM ALBUMIN COMPLEXED WITH cis-9-OCTADECENOIC ACID (OLEIC ACID) Descriptor: OLEIC ACID, SERUM ALBUMIN Authors: Petitpas, I, Gruene, T, Bhattacharya, A.A, Curry, S. Deposit date: 2001-10-05 Release date: 2002-01-01 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal Structures of Human Serum Albumin Complexed with Monounsaturated and Polyunsaturated Fatty Acids. J.Mol.Biol., 314, 2001
1GN1	crystal structure of the mouse CCT gamma apical domain (monoclinic) Descriptor: CALCIUM ION, CCT-GAMMA Authors: Pappenberger, G, Wilsher, J.A, Roe, S.M, Willison, K.R, Pearl, L.H. Deposit date: 2001-10-01 Release date: 2002-06-18 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal Structure of the Cct Gamma Apical Domain:: Implications for Substrate Binding to the Eukaryotic Cytosolic Chaperonin J.Mol.Biol., 318, 2002

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