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3FMD	Crystal Structure of Human Haspin with an Isoquinoline ligand Descriptor: 1,2-ETHANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, NICKEL (II) ION, ... Authors: Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2008-12-21 Release date: 2008-12-30 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of Human Haspin with an Isoquinoline ligand To be Published
3I2E	Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) Descriptor: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Authors: Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. Deposit date: 2009-06-29 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. Biochemistry, 48, 2009
3I2O	Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate and methylated trinucleotide T-meA-T Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, DNA (5'-D(P*TP*(MA7)P*T)-3'), ... Authors: Yu, B, Hunt, J.F. Deposit date: 2009-06-29 Release date: 2009-08-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Enzymological and structural studies of the mechanism of promiscuous substrate recognition by the oxidative DNA repair enzyme AlkB. Proc.Natl.Acad.Sci.USA, 106, 2009
3I2Y	Proteinase K by Classical hanging drop Method before high X-Ray dose on ID14-2 Beamline at ESRF Descriptor: CALCIUM ION, Proteinase K Authors: Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. Deposit date: 2009-06-30 Release date: 2010-06-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (0.995 Å) Cite: Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals To be Published
3HRD	Crystal structure of nicotinate dehydrogenase Descriptor: CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... Authors: Wagener, N, Pierik, A.J, Hille, R, Dobbek, H. Deposit date: 2009-06-09 Release date: 2009-06-30 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The Mo-Se active site of nicotinate dehydrogenase Proc.Natl.Acad.Sci.USA, 106, 2009
3HSS	A higher resolution structure of Rv0554 from Mycobacterium tuberculosis complexed with malonic acid Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... Authors: Johnston, J.M, Baker, E.N. Deposit date: 2009-06-10 Release date: 2010-05-26 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis. Acta Crystallogr.,Sect.D, 66, 2010
3HT0	Crystal structure of E. coli HPPK(F123A) in complex with MgAMPCPP Descriptor: CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HPPK, ... Authors: Blaszczyk, J, Li, Y, Yan, H, Ji, X. Deposit date: 2009-06-11 Release date: 2010-06-23 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK To be Published
3HT7	2-ethylphenol in complex with T4 lysozyme L99A/M102Q Descriptor: 2-ethylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-11 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HTF	4-chloro-1h-pyrazole in complex with T4 lysozyme L99A/M102Q Descriptor: 4-chloro-1H-pyrazole, BETA-MERCAPTOETHANOL, Lysozyme, ... Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-11 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HTN	Crystal structure of a putative dna binding protein (bt_1116) from bacteroides thetaiotaomicron vpi-5482 at 1.50 A resolution Descriptor: FE (III) ION, NICKEL (II) ION, PENTAETHYLENE GLYCOL, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2009-06-12 Release date: 2009-06-30 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal structure of Putative DNA binding protein (NP_810029.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.50 A resolution To be Published
3HWS	Crystal structure of nucleotide-bound hexameric ClpX Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit clpX, MAGNESIUM ION, ... Authors: Glynn, S.E, Martin, A, Baker, T.A, Sauer, R.T. Deposit date: 2009-06-18 Release date: 2009-11-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (3.25 Å) Cite: Structures of asymmetric ClpX hexamers reveal nucleotide-dependent motions in a AAA+ protein-unfolding machine. Cell(Cambridge,Mass.), 139, 2009
3I56	Co-crystal structure of Triacetyloleandomcyin Bound to the Large Ribosomal Subunit Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ... Authors: Gurel, G, Blaha, G, Steitz, T.A, Moore, P.B. Deposit date: 2009-07-03 Release date: 2010-03-09 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structures of triacetyloleandomycin and mycalamide A bind to the large ribosomal subunit of Haloarcula marismortui. Antimicrob.Agents Chemother., 53, 2009
3HMW	Crystal structure of ustekinumab FAB Descriptor: CADMIUM ION, USTEKINUMAB FAB HEAVY CHAIN, USTEKINUMAB FAB LIGHT CHAIN Authors: Luo, J. Deposit date: 2009-05-29 Release date: 2010-06-09 Last modified: 2015-07-22 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural basis for the dual recognition of IL-12 and IL-23 by ustekinumab. J.Mol.Biol., 402, 2010
3HYD	LVEALYL peptide derived from human insulin chain B, residues 11-17 Descriptor: Insulin Authors: Ivanova, M.I, Sawaya, M.R, Eisenberg, D. Deposit date: 2009-06-22 Release date: 2009-10-06 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1 Å) Cite: Molecular basis for insulin fibril assembly. Proc.Natl.Acad.Sci.USA, 106, 2009
3HN7	Crystal structure of a murein peptide ligase mpl (psyc_0032) from psychrobacter arcticus 273-4 at 1.65 A resolution Descriptor: UDP-N-acetylmuramate-L-alanine ligase Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2009-05-29 Release date: 2009-06-16 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structure and function of the first full-length murein Peptide ligase (mpl) cell wall recycling protein. Plos One, 6, 2011
3HNJ	Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-2 Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION Authors: Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A. Deposit date: 2009-05-31 Release date: 2010-02-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Metal templated design of protein interfaces. Proc.Natl.Acad.Sci.USA, 107, 2010
3HZ2	Crystal structure of a betagamma-crystallin from an Archaea Descriptor: Beta/gama crystallin family protein, CALCIUM ION Authors: Aravind, P, Sankaranarayanan, R. Deposit date: 2009-06-23 Release date: 2009-12-01 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.86 Å) Cite: The betagamma-crystallin superfamily contains a universal motif for binding calcium Biochemistry, 48, 2009
3HNY	Factor VIII Trp2313-His2315 segment is involved in membrane binding as shown by crystal structure of complex between factor VIII C2 domain and an inhibitor Descriptor: Coagulation factor VIII Authors: Liu, Z, Yuan, C. Deposit date: 2009-06-01 Release date: 2010-01-19 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.07 Å) Cite: Trp2313-His2315 of factor VIII C2 domain is involved in membrane binding: structure of a complex between the C2 domain and an inhibitor of membrane binding. J.Biol.Chem., 285, 2010
3HZB	Crystal structure of a betagamma-crystallin domain from Flavobacterium johnsoniae Descriptor: CALCIUM ION, Carbohydrate binding protein Authors: Aravind, P, Sankaranarayanan, R. Deposit date: 2009-06-23 Release date: 2009-12-01 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.74 Å) Cite: The betagamma-crystallin superfamily contains a universal motif for binding calcium Biochemistry, 48, 2009
3HZY	Crystal structure of S73-2 antibody in complex with antigen Kdo(2.4)Kdo(2.4)Kdo Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ... Authors: Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V. Deposit date: 2009-06-24 Release date: 2010-01-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition Biochemistry, 49, 2010
3HOJ	Crystal Structure of a Novel Engineered Retroaldolase: RA-22 Descriptor: RETROALDOLASE-22 Authors: Stoddard, B.L, Doyle, L.A. Deposit date: 2009-06-02 Release date: 2009-08-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.2 Å) Cite: De Novo Computational Design of Retro-Aldol Enzymes Science, 319, 2008
3I0E	Crystal structure of GTB C80S/C196S + H-antigen Descriptor: ABO glycosyltransferase, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside Authors: Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. Deposit date: 2009-06-25 Release date: 2010-08-11 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding J.Mol.Biol., 402, 2010
3I0L	Crystal structure of GTB C80S/C196S/C209S + DA + UDP-Gal Descriptor: ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside, ... Authors: Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. Deposit date: 2009-06-25 Release date: 2010-08-11 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding J.Mol.Biol., 402, 2010
3I0X	Crystal structure of Clostridium acetobutylicum 8-oxoguanine glycosylase/lyase in complex with dsDNA containing adenine opposite to 8-oxoG Descriptor: 5'-D(*AP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*AP*TP*GP*GP*A)-3', 8-oxoguanine-DNA-glycosylase, ... Authors: Faucher, F, Doublie, S. Deposit date: 2009-06-25 Release date: 2009-09-29 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural basis for the lack of opposite base specificity of Clostridium acetobutylicum 8-oxoguanine DNA glycosylase. Dna Repair, 8, 2009
3HQW	Discovery of novel inhibitors of PDE10A Descriptor: 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ... Authors: Pandit, J, Marr, E.S. Deposit date: 2009-06-08 Release date: 2009-08-04 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009

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