6OOQ
 
 | | protein C | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Multidrug transporter MdfA | | Authors: | Lu, M. | | Deposit date: | 2019-04-23 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of an engineered multidrug transporter MdfA reveals the molecular basis for substrate recognition.
Commun Biol, 2, 2019
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1SQX
 | | Crystal Structure Analysis of Bovine Bc1 with Stigmatellin A | | Descriptor: | Cytochrome b, Cytochrome c1, heme protein, ... | | Authors: | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | | Deposit date: | 2004-03-21 | | Release date: | 2005-09-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
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1WRJ
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4YYU
 | | Ficin C crystal form I | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ficin isoform C, SULFATE ION | | Authors: | Azarkan, M, Baeyens-Volant, D, Loris, R. | | Deposit date: | 2015-03-24 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.177 Å) | | Cite: | Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
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1WRR
 | | Urate oxidase from aspergillus flavus complexed with 5-amino 6-nitro uracil | | Descriptor: | 5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE, Uricase | | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | | Deposit date: | 2004-10-27 | | Release date: | 2005-03-22 | | Last modified: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site.
Acta Crystallogr.,Sect.D, 61, 2005
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3LAQ
 | | Structure-based engineering of species selectivity in the uPA-uPAR interaction | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator | | Authors: | Huang, M. | | Deposit date: | 2010-01-06 | | Release date: | 2010-02-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-based engineering of species selectivity in the interaction between urokinase and its receptor: implication for preclinical cancer therapy.
J.Biol.Chem., 285, 2010
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1WS3
 | | Urate oxidase from aspergillus flavus complexed with uracil | | Descriptor: | URACIL, Uricase | | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | | Deposit date: | 2004-10-29 | | Release date: | 2005-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site.
Acta Crystallogr.,Sect.D, 61, 2005
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1WPX
 | | Crystal structure of carboxypeptidase Y inhibitor complexed with the cognate proteinase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase Y, Carboxypeptidase Y inhibitor, ... | | Authors: | Mima, J, Hayashida, M, Fujii, T, Narita, Y, Hayashi, R, Ueda, M, Hata, Y. | | Deposit date: | 2004-09-14 | | Release date: | 2005-03-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the carboxypeptidase y inhibitor i(c) in complex with the cognate proteinase reveals a novel mode of the proteinase-protein inhibitor interaction
J.Mol.Biol., 346, 2005
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6I4A
 | | Structure of P. aeruginosa LpxC with compound 18d: (2R)-N-Hydroxy-4-(6-((1-(hydroxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-2-methyl-2-(methylsulfonyl)butanamide | | Descriptor: | (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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1WQG
 | | Crystal structure of ribosome recycling factor from Mycobacterium Tuberculosis | | Descriptor: | CADMIUM ION, Ribosome recycling factor | | Authors: | Saikrishnan, K, Kalapala, S.K, Varshney, U, Vijayan, M. | | Deposit date: | 2004-09-29 | | Release date: | 2005-02-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | X-ray structural studies of Mycobacterium tuberculosis RRF and a comparative study of RRFs of known structure. Molecular plasticity and biological implications
J.Mol.Biol., 345, 2005
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7NM1
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-126 | | Descriptor: | 14-3-3 protein sigma, 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-02-23 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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6LQJ
 | | Low resolution architecture of curli complex | | Descriptor: | Curli production assembly/transport component CsgF, Curli production assembly/transport component CsgG | | Authors: | Zhang, M, Shi, H, Huang, Y. | | Deposit date: | 2020-01-13 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Cryo-EM structure of the nonameric CsgG-CsgF complex and its implications for controlling curli biogenesis in Enterobacteriaceae.
Plos Biol., 18, 2020
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6U01
 | | Dihydrodipicolinate synthase (DHDPS) from C.jejuni, N84D mutant with pyruvate bound in the active site | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ... | | Authors: | Saran, S, Majdi Yazdi, M, Lehnert, L, Palmer, D.R.J, Sanders, D.A.R. | | Deposit date: | 2019-08-13 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Asparagine-84, a regulatory allosteric site residue, helps maintain the quaternary structure of Campylobacter jejuni dihydrodipicolinate synthase.
J.Struct.Biol., 209, 2020
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6U0R
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1WS4
 | | Crystal structure of Jacalin- Me-alpha-Mannose complex: Promiscuity vs Specificity | | Descriptor: | Agglutinin alpha chain, Agglutinin beta-3 chain, methyl alpha-D-galactopyranoside, ... | | Authors: | Jeyaprakash, A.A, Jayashree, G, Mahanta, S.K, Sekar, K, Surolia, A, Vijayan, M. | | Deposit date: | 2004-10-31 | | Release date: | 2005-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificity
J.Mol.Biol., 347, 2005
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7NM3
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-135 | | Descriptor: | 14-3-3 protein sigma, 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-02-23 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7NLA
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1WV9
 | | Crystal Structure of Rhodanese Homolog TT1651 from an Extremely Thermophilic Bacterium Thermus thermophilus HB8 | | Descriptor: | Rhodanese Homolog TT1651 | | Authors: | Mizohata, E, Hattori, M, Tatsuguchi, A, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-12-12 | | Release date: | 2005-06-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the single-domain rhodanese homologue TTHA0613 from Thermus thermophilus HB8
Proteins, 64, 2006
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4OC4
 | | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CPIBzL, a urea-based inhibitor N~2~-{[(1S)-1-carboxy-2-(pyridin-4-yl)ethyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | | Deposit date: | 2014-01-08 | | Release date: | 2014-05-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
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7NK5
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-124 | | Descriptor: | 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine, 14-3-3 protein sigma, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-02-17 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7NLE
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-118 | | Descriptor: | 14-3-3 protein sigma, 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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6I2Z
 | | Isolated globin domain of the Bordetella pertussis globin-coupled sensor | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Uncharacterized protein | | Authors: | Germani, F, De Schutter, A, Cuypers, B, Berghmans, H, Van Hauwaert, M.-L, Bruno, S, Mozzarelli, A, Moens, L, Van Doorslaer, S, Bolognesi, M, Pesce, A, Dewilde, S. | | Deposit date: | 2018-11-02 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and Functional Characterization of the Globin-Coupled Sensors ofAzotobacter vinelandiiandBordetella pertussis.
Antioxid.Redox Signal., 32, 2020
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7NJ9
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133 | | Descriptor: | 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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6LS4
 | | A novel anti-tumor agent S-40 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | | Deposit date: | 2020-01-17 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
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7NJB
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132 | | Descriptor: | 14-3-3 protein sigma, 4-piperidin-1-ylsulfonylbenzaldehyde, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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