7OYM
 
 | | Carbonic anhydrase II in complex with Hit2 (MH65) | | Descriptor: | Carbonic anhydrase 2, Hit2 (MH65), ZINC ION | | Authors: | Kugler, M, Brynda, J, Rezacova, P. | | Deposit date: | 2021-06-24 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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7OYO
 | | Carbonic anhydrase II in complex with Hit4 (MH70) | | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... | | Authors: | Kugler, M, Brynda, J, Rezacova, P. | | Deposit date: | 2021-06-24 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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8R6T
 | | NMR solution structure of thyropin IrThy-Cd from the hard tick Ixodes ricinus | | Descriptor: | Putative two thyropin protein (Fragment) | | Authors: | Srb, P, Veverka, V, Matouskova, Z, Orsaghova, K, Mares, M. | | Deposit date: | 2023-11-23 | | Release date: | 2024-02-28 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | An Unusual Two-Domain Thyropin from Tick Saliva: NMR Solution Structure and Highly Selective Inhibition of Cysteine Cathepsins Modulated by Glycosaminoglycans.
Int J Mol Sci, 25, 2024
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8RGZ
 | | Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules. | | Descriptor: | Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain | | Authors: | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | | Deposit date: | 2023-12-14 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
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8RPL
 | | AMP-forming acetyl-CoA synthetase from Chloroflexota bacterium with bound acetyl AMP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Acetate--CoA ligase, MAGNESIUM ION, ... | | Authors: | Striska, K, Palm, G.J, Lammers, M. | | Deposit date: | 2024-01-16 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Acetyl-CoA synthetase activity is enzymatically regulated by lysine acetylation using acetyl-CoA or acetyl-phosphate as donor molecule.
Nat Commun, 15, 2024
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5Y5K
 | | Time-resolved SFX structure of cytochrome P450nor : 20 ms after photo-irradiation of caged NO in the absence of NADH (NO-bound state), light data | | Descriptor: | NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | | Deposit date: | 2017-08-09 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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8R3G
 | | Central glycolytic genes regulator (CggR) bound to DNA operator | | Descriptor: | Central glycolytic genes regulator, operator DNA | | Authors: | Skerlova, J, Soltysova, M, Rezacova, P, Skubnik, K. | | Deposit date: | 2023-11-09 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural characterization of two prototypical repressors of SorC family reveals tetrameric assemblies on DNA and mechanism of function.
Nucleic Acids Res., 52, 2024
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8RH0
 | | Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules. | | Descriptor: | Envelope glycoprotein B, HDIT102 Fab heavy chain | | Authors: | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | | Deposit date: | 2023-12-14 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
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7PY2
 | | Structure of pathological TDP-43 filaments from ALS with FTLD | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Arseni, D, Hasegawa, H, Murzin, A.G, Kametani, F, Arai, M, Yoshida, M, Falcon, B. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Structure of pathological TDP-43 filaments from ALS with FTLD.
Nature, 601, 2022
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1A7A
 | | STRUCTURE OF HUMAN PLACENTAL S-ADENOSYLHOMOCYSTEINE HYDROLASE: DETERMINATION OF A 30 SELENIUM ATOM SUBSTRUCTURE FROM DATA AT A SINGLE WAVELENGTH | | Descriptor: | (1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-ADENOSYLHOMOCYSTEINE HYDROLASE | | Authors: | Turner, M.A, Yuan, C.-S, Borchardt, R.T, Hershfield, M.S, Smith, G.D, Howell, P.L. | | Deposit date: | 1998-03-10 | | Release date: | 1999-04-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure determination of selenomethionyl S-adenosylhomocysteine hydrolase using data at a single wavelength.
Nat.Struct.Biol., 5, 1998
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4S2S
 | | Crystal Structure of Fab fragment of monoclonal antibody RoAb13 | | Descriptor: | RoAb13 Fab Heavy chain, RoAb13 Fab Light chain | | Authors: | Chain, B, Arnold, J, Akthar, S, Noursadeghi, M, Lapp, T, Ji, C, Naider, D, Zhang, Y, Govada, L, Saridakis, E, Chayen, N.E. | | Deposit date: | 2015-01-22 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Linear Epitope in the N-Terminal Domain of CCR5 and Its Interaction with Antibody.
Plos One, 10, 2015
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4RL9
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7YZ4
 | | Mouse endoribonuclease Dicer (composite structure) | | Descriptor: | Endoribonuclease Dicer | | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | | Deposit date: | 2022-02-18 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
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7PZC
 | | Cryo-EM structure of the NLRP3 decamer bound to the inhibitor CRID3 | | Descriptor: | 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Hochheiser, I.V, Pilsl, M, Hagelueken, G, Engel, C, Geyer, M. | | Deposit date: | 2021-10-12 | | Release date: | 2022-01-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the NLRP3 decamer bound to the cytokine release inhibitor CRID3.
Nature, 604, 2022
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1B9A
 | | PARVALBUMIN (MUTATION;D51A, F102W) | | Descriptor: | CALCIUM ION, PROTEIN (PARVALBUMIN) | | Authors: | Cates, M.S, Berry, M.B, Ho, E.L, Li, Q, Potter, J.D, Phillips Jr, G.N. | | Deposit date: | 1999-02-10 | | Release date: | 1999-02-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin.
Structure Fold.Des., 7, 1999
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7YYM
 | | Mammalian Dicer in the "pre-dicing state" with pre-miR-15a substrate | | Descriptor: | 59-nt precursor of miR-15a, Endoribonuclease Dicer | | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | | Deposit date: | 2022-02-18 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.19 Å) | | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
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6YAS
 | | HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS, ROOM TEMPERATURE STRUCTURE | | Descriptor: | PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION | | Authors: | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | | Deposit date: | 1999-03-15 | | Release date: | 1999-10-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
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7YYN
 | | Mammalian Dicer in the dicing state with pre-miR-15a substrate | | Descriptor: | 59-nt precursor of miR-15a, Isoform 2 of Endoribonuclease Dicer | | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | | Deposit date: | 2022-02-18 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (6.21 Å) | | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
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7PUA
 | | Middle assembly intermediate of the Trypanosoma brucei mitoribosomal small subunit | | Descriptor: | 30S Ribosomal protein S17, putative, 30S ribosomal protein S8, ... | | Authors: | Lenarcic, T, Leibundgut, M, Saurer, M, Ramrath, D.J.F, Fluegel, T, Boehringer, D, Ban, N. | | Deposit date: | 2021-09-29 | | Release date: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Mitoribosomal small subunit maturation involves formation of initiation-like complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7AQ1
 | | Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Linnert, M, Parthier, C, Fritz, C. | | Deposit date: | 2020-10-20 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.413 Å) | | Cite: | Structure and Dynamics of Meprin beta in Complex with a Hydroxamate-Based Inhibitor.
Int J Mol Sci, 22, 2021
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8OGR
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[3-(diethylamino)phenyl]ethanamide | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B07
To Be Published
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8OGU
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07 | | Descriptor: | 3,4-dihydro-1~{H}-quinolin-2-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C07
To Be Published
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4RVM
 | | CHK1 kinase domain with diazacarbazole compound 19 | | Descriptor: | 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S. | | Deposit date: | 2014-11-26 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
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8OGW
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02
To Be Published
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8OH1
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04 | | Descriptor: | 3-phenyl-1,2-oxazol-5-amine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry E04
To Be Published
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