5HO8
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![BU of 5ho8 by Molmil](/molmil-images/mine/5ho8) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, SULFATE ION | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | Deposit date: | 2016-01-19 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5HM1
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6JLJ
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![BU of 6jlj by Molmil](/molmil-images/mine/6jlj) | XFEL structure of cyanobacterial photosystem II (dark state, dataset1) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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1J1G
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![BU of 1j1g by Molmil](/molmil-images/mine/1j1g) | Crystal structure of the RNase MC1 mutant N71S in complex with 5'-GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Ribonuclease MC1 | Authors: | Numata, T, Suzuki, A, Kakuta, Y, Kimura, K, Yao, M, Tanaka, I, Yoshida, Y, Ueda, T, Kimura, M. | Deposit date: | 2002-12-04 | Release date: | 2003-05-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of the Ribonuclease MC1 Mutants N71T and N71S in Complex with 5'-GMP: Structural Basis for Alterations in Substrate Specificity Biochemistry, 42, 2003
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1IO2
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![BU of 1io2 by Molmil](/molmil-images/mine/1io2) | Crystal structure of type 2 ribonuclease h from hyperthermophilic archaeon, thermococcus kodakaraensis kod1 | Descriptor: | RIBONUCLEASE HII | Authors: | Muroya, A, Tsuchiya, D, Ishikawa, M, Haruki, M, Morikawa, M. | Deposit date: | 2000-12-28 | Release date: | 2001-04-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catalytic center of an archaeal type 2 ribonuclease H as revealed by X-ray crystallographic and mutational analyses. Protein Sci., 10, 2001
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5HFS
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![BU of 5hfs by Molmil](/molmil-images/mine/5hfs) | CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX SECRETION SYSTEM | Descriptor: | CALCIUM ION, Gingipain R2, ZINC ION | Authors: | Golik, P, Szmigielski, B, Ksiazek, M, Nowakowska, Z, Mizgalska, D, Nowak, M, Dubin, G, Potempa, J. | Deposit date: | 2016-01-07 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain. Sci Rep, 6, 2016
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6DWU
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1V9J
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![BU of 1v9j by Molmil](/molmil-images/mine/1v9j) | Solution structure of a BolA-like protein from Mus musculus | Descriptor: | BolA-like protein RIKEN cDNA 1110025L05 | Authors: | Kasai, T, Inoue, M, Koshiba, S, Yabuki, T, Aoki, M, Nunokawa, E, Seki, E, Matsuda, T, Matsuda, N, Tomo, Y, Shirouzu, M, Terada, T, Obayashi, N, Hamana, H, Shinya, N, Tatsuguchi, A, Yasuda, S, Yoshida, M, Hirota, H, Matsuo, Y, Tani, K, Suzuki, H, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-01-26 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a BolA-like protein from Mus musculus Protein Sci., 13, 2004
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1IX3
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![BU of 1ix3 by Molmil](/molmil-images/mine/1ix3) | Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Cyanide | Descriptor: | CYANIDE ION, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K. | Deposit date: | 2002-06-10 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1. Biochemistry, 42, 2003
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3ONF
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![BU of 3onf by Molmil](/molmil-images/mine/3onf) | Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with cordycepin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3'-DEOXYADENOSINE, Adenosylhomocysteinase, ... | Authors: | Brzezinski, K, Jaskolski, M. | Deposit date: | 2010-08-28 | Release date: | 2011-08-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus). Acta Crystallogr.,Sect.D, 68, 2012
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1TOS
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![BU of 1tos by Molmil](/molmil-images/mine/1tos) | TORPEDO CALIFORNICA ACHR RECEPTOR [ALA76] ANALOGUE COMPLEXED WITH THE ANTI-ACETYLCHOLINE MAB6 MONOCLONAL ANTIBODY | Descriptor: | ACETYLCHOLINE RECEPTOR [ALA76] MIR ANALOGUE | Authors: | Orlewski, P, Tsikaris, V, Sakarellos, C, Sakarellos-Daistiotis, M, Vatzaki, E, Tzartos, S.J, Marraud, M, Cung, M.T. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Compared structures of the free nicotinic acetylcholine receptor main immunogenic region (MIR) decapeptide and the antibody-bound [A76]MIR analogue: a molecular dynamics simulation from two-dimensional NMR data. Biopolymers, 40, 1996
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3P0C
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![BU of 3p0c by Molmil](/molmil-images/mine/3p0c) | Nischarin PX-domain | Descriptor: | GLYCEROL, Nischarin | Authors: | Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Welin, M, Weigelt, J, Nordlund, P, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-09-28 | Release date: | 2010-10-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.273 Å) | Cite: | Crystal structure of Nischarin PX-domain to be published
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5D4H
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![BU of 5d4h by Molmil](/molmil-images/mine/5d4h) | High-resolution nitrite complex of a copper nitrite reductase determined by synchrotron radiation crystallography | Descriptor: | ACETIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | Deposit date: | 2015-08-07 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography Proc.Natl.Acad.Sci.USA, 113, 2016
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5D4J
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![BU of 5d4j by Molmil](/molmil-images/mine/5d4j) | Chloride-bound form of a copper nitrite reductase from Alcaligenes faecals | Descriptor: | ACETIC ACID, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | Deposit date: | 2015-08-07 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography Proc.Natl.Acad.Sci.USA, 113, 2016
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5D9C
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![BU of 5d9c by Molmil](/molmil-images/mine/5d9c) | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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5CCI
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![BU of 5cci by Molmil](/molmil-images/mine/5cci) | Structure of the Mg2+-bound synaptotagmin-1 SNARE complex (short unit cell form) | Descriptor: | MAGNESIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | Authors: | Zhou, Q, Zhao, M, Lyubimov, A.Y, Uervirojnangkoorn, M, Weis, W.I, Brunger, A.T. | Deposit date: | 2015-07-02 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Architecture of the synaptotagmin-SNARE machinery for neuronal exocytosis. Nature, 525, 2015
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1TXJ
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![BU of 1txj by Molmil](/molmil-images/mine/1txj) | Crystal structure of translationally controlled tumour-associated protein (TCTP) from Plasmodium knowlesi | Descriptor: | translationally controlled tumour-associated protein (TCTP) from Plasmodium knowlesi, PKN_PFE0545c | Authors: | Walker, J.R, Vedadi, M, Sharma, S, Houston, S, Lew, J, Amani, M, Wasney, G, Skarina, T, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2004-07-05 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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1J2N
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![BU of 1j2n by Molmil](/molmil-images/mine/1j2n) | Solution structure of CPI-17(22-120) T38D | Descriptor: | 17-kDa PKC-potentiated inhibitory protein of PP1 | Authors: | Ohki, S, Eto, M, Shimizu, M, Takada, R, Brautigan, D.L, Kainosho, M. | Deposit date: | 2003-01-07 | Release date: | 2003-06-17 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Distinctive Solution Conformation of Phosphatase Inhibitor CPI-17 Substituted with Aspartate at the Phosphorylation-site Threonine Residue J.Mol.Biol., 326, 2003
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1J3A
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![BU of 1j3a by Molmil](/molmil-images/mine/1j3a) | Crystal structure of ribosomal protein L13 from Pyrococcus horikoshii | Descriptor: | 50S ribosomal protein L13P | Authors: | Nakashima, T, Tanaka, M, Kazama, T, Kawamura, S, Kimura, M, Yao, M, Tanaka, I. | Deposit date: | 2003-01-21 | Release date: | 2003-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of ribosomal protein L13 from hyperthermophilic archaeon Pyrococcus horikoshii To be Published
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6KA4
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![BU of 6ka4 by Molmil](/molmil-images/mine/6ka4) | Cryo-EM structure of the AtMLKL3 tetramer | Descriptor: | F22L4.1 protein | Authors: | Lisa, M, Huang, M, Zhang, X, Ryohei, T.N, Leila, B.K, Isabel, M.L.S, Florence, J, Viera, K, Dmitry, L, Jane, E.P, James, M.M, Kay, H, Paul, S.L, Chai, J, Takaki, M. | Deposit date: | 2019-06-20 | Release date: | 2020-09-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of the AtMLKL3 tetramer To Be Published
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1IDR
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![BU of 1idr by Molmil](/molmil-images/mine/1idr) | CRYSTAL STRUCTURE OF THE TRUNCATED-HEMOGLOBIN-N FROM MYCOBACTERIUM TUBERCULOSIS | Descriptor: | HEMOGLOBIN HBN, OXYGEN MOLECULE, PHOSPHATE ION, ... | Authors: | Milani, M, Pesce, A, Ascenzi, P, Guertin, M, Bolognesi, M. | Deposit date: | 2001-04-05 | Release date: | 2001-08-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mycobacterium tuberculosis hemoglobin N displays a protein tunnel suited for O2 diffusion to the heme. EMBO J., 20, 2001
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1IHD
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5CCH
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![BU of 5cch by Molmil](/molmil-images/mine/5cch) | Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (short unit cell form) | Descriptor: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | Authors: | Zhou, Q, Zhao, M, Lyubimov, A.Y, Uervirojnangkoorn, M, Zeldin, O.B, Weis, W.I, Brunger, A.T. | Deposit date: | 2015-07-02 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Architecture of the synaptotagmin-SNARE machinery for neuronal exocytosis. Nature, 525, 2015
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1D66
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![BU of 1d66 by Molmil](/molmil-images/mine/1d66) | DNA RECOGNITION BY GAL4: STRUCTURE OF A PROTEIN/DNA COMPLEX | Descriptor: | CADMIUM ION, DNA (5'-D(*CP*CP*GP*GP*AP*GP*GP*AP*CP*AP*GP*TP*CP*CP*TP*CP*C P*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*AP*GP*GP*AP*CP*TP*GP*TP*CP*CP*TP*CP*C P*GP*G)-3'), ... | Authors: | Marmorstein, R, Carey, M, Ptashne, M, Harrison, S.C. | Deposit date: | 1992-03-06 | Release date: | 1992-03-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | DNA recognition by GAL4: structure of a protein-DNA complex. Nature, 356, 1992
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3OB6
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![BU of 3ob6 by Molmil](/molmil-images/mine/3ob6) | Structure of AdiC(N101A) in the open-to-out Arg+ bound conformation | Descriptor: | ARGININE, AdiC arginine:agmatine antiporter | Authors: | Carpena, X, Kowalczyk, L, Ratera, M, Valencia, E, Vazquez-lbar, J.L, Fita, I, Palacin, M. | Deposit date: | 2010-08-06 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular basis of substrate-induced permeation by an amino acid antiporter. Proc.Natl.Acad.Sci.USA, 108, 2011
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