1A7C
| HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-ribopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAPEPTIDE, ... | Authors: | Xue, Y, Inghardt, T, Sjolin, L, Deinum, J. | Deposit date: | 1998-03-12 | Release date: | 1999-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide Structure, 6, 1998
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3T9I
| Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution | Descriptor: | 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol, Proto-oncogene serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C, Shu, W, Le, V, Nishiguchi, G, Bussiere, D. | Deposit date: | 2011-08-02 | Release date: | 2011-10-12 | Last modified: | 2011-11-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases. Bioorg.Med.Chem.Lett., 21, 2011
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2Y1D
| X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese. | Descriptor: | (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1E
| X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, SULFATE ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1C
| X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2K51
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2K4R
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1CQN
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1CQM
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5OLK
| Crystal structure of the ATP-cone-containing NrdB from Leeuwenhoekiella blandensis | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | Authors: | Hasan, M, Grinberg, A.R, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2017-07-28 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Novel ATP-cone-driven allosteric regulation of ribonucleotide reductase via the radical-generating subunit. Elife, 7, 2018
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4EC2
| Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae, complexed with ferrous | Descriptor: | FE (II) ION, Frataxin homolog, mitochondrial | Authors: | Soderberg, C.A.G, Rajan, S, Gakh, O, Isaya, G, Al-Karadaghi, S. | Deposit date: | 2012-03-26 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | The molecular basis of iron-induced oligomerization of frataxin and the role of the ferroxidation reaction in oligomerization. J.Biol.Chem., 288, 2013
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2GVM
| Crystal structure of hydrophobin HFBI with detergent | Descriptor: | Hydrophobin-1, LAURYL DIMETHYLAMINE-N-OXIDE, ZINC ION | Authors: | Hakanpaa, J.M, Rouvinen, J. | Deposit date: | 2006-05-03 | Release date: | 2006-08-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Two crystal structures of Trichoderma reesei hydrophobin HFBI--The structure of a protein amphiphile with and without detergent interaction. Protein Sci., 15, 2006
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2FQL
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1IKL
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1KOS
| SOLUTION NMR STRUCTURE OF AN ANALOG OF THE YEAST TRNA PHE T STEM LOOP CONTAINING RIBOTHYMIDINE AT ITS NATURALLY OCCURRING POSITION | Descriptor: | 5'-R(*CP*UP*GP*UP*GP*(5MU)P*UP*CP*GP*AP*UP*(CH)P*CP*AP*CP*AP*G)- 3' | Authors: | Koshlap, K.M, Guenther, R, Sochacka, E, Malkiewicz, A, Agris, P.F. | Deposit date: | 1999-05-03 | Release date: | 1999-10-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | A distinctive RNA fold: the solution structure of an analogue of the yeast tRNAPhe T Psi C domain. Biochemistry, 38, 1999
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2KJ1
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2KIX
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1AZF
| CHICKEN EGG WHITE LYSOZYME CRYSTAL GROWN IN BROMIDE SOLUTION | Descriptor: | BROMIDE ION, LYSOZYME | Authors: | Lim, K, Nadarajah, A, Forsythe, E.L, Pusey, M.L. | Deposit date: | 1997-11-17 | Release date: | 1998-02-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Locations of bromide ions in tetragonal lysozyme crystals. Acta Crystallogr.,Sect.D, 54, 1998
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1IKM
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2SDF
| SOLUTION NMR STRUCTURE OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1), 30 STRUCTURES | Descriptor: | STROMAL CELL-DERIVED FACTOR-1 | Authors: | Crump, M.P, Rajarathnam, K, Clark-Lewis, I, Sykes, B.D. | Deposit date: | 1998-03-07 | Release date: | 1998-06-17 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution structure and basis for functional activity of stromal cell-derived factor-1; dissociation of CXCR4 activation from binding and inhibition of HIV-1. EMBO J., 16, 1997
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1AQK
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2HCC
| SOLUTION STRUCTURE OF THE HUMAN CHEMOKINE HCC-2, NMR, 30 STRUCTURES | Descriptor: | HUMAN CHEMOKINE HCC-2 | Authors: | Sticht, H, Escher, S.E, Schweimer, K, Forssmann, W.G, Roesch, P, Adermann, K. | Deposit date: | 1998-07-03 | Release date: | 1999-07-13 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Solution structure of the human CC chemokine 2: A monomeric representative of the CC chemokine subtype. Biochemistry, 38, 1999
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2HX4
| Rat nNOS heme domain complexed with 4-N-(Nw-nitro-L-argininyl)-trans-4-hydroxyamino-L-proline amide | Descriptor: | (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2006-08-02 | Release date: | 2007-04-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem., 50, 2007
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2HX2
| Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine | Descriptor: | (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2006-08-02 | Release date: | 2007-04-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem., 50, 2007
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2HX3
| Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine | Descriptor: | (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2006-08-02 | Release date: | 2007-04-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem., 50, 2007
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