7QHZ
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![BU of 7qhz by Molmil](/molmil-images/mine/7qhz) | Crystal structure of KLK6 in complex with compound DKFZ917 | Descriptor: | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, GLYCEROL, Kallikrein-6 | Authors: | Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J. | Deposit date: | 2021-12-14 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Scalable synthesis and structural characterization of reversible KLK6 inhibitors. Rsc Adv, 12, 2022
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6HRA
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![BU of 6hra by Molmil](/molmil-images/mine/6hra) | Cryo-EM structure of the KdpFABC complex in an E1 outward-facing state (state 1) | Descriptor: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | Authors: | Stock, C, Hielkema, L, Tascon, I, Wunnicke, D, Oostergetel, G.T, Azkargorta, M, Paulino, C, Haenelt, I. | Deposit date: | 2018-09-26 | Release date: | 2018-12-05 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of KdpFABC suggest a K+transport mechanism via two inter-subunit half-channels. Nat Commun, 9, 2018
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6SW8
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![BU of 6sw8 by Molmil](/molmil-images/mine/6sw8) | Crystal structure of the NS1 (H7N1) RNA-binding domain | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Non-structural protein 1 | Authors: | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | Deposit date: | 2019-09-20 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.933 Å) | Cite: | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1. Viruses, 12, 2020
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7Q8M
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![BU of 7q8m by Molmil](/molmil-images/mine/7q8m) | Peptide KPKKKTK in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cathepsin L2, GLYCEROL, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7Q8Q
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![BU of 7q8q by Molmil](/molmil-images/mine/7q8q) | Peptide RLSAKP in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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5JK3
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![BU of 5jk3 by Molmil](/molmil-images/mine/5jk3) | Crystal structure of TL11-128 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-25 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.371 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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7Q8P
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![BU of 7q8p by Molmil](/molmil-images/mine/7q8p) | Peptide LLKVAL in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-11-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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5JMD
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![BU of 5jmd by Molmil](/molmil-images/mine/5jmd) | Heparinase III-BT4657 gene product, Methylated Lysines | Descriptor: | Heparinase III protein, MAGNESIUM ION | Authors: | Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M. | Deposit date: | 2016-04-28 | Release date: | 2016-05-25 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657). Glycobiology, 27, 2017
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1YQU
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![BU of 1yqu by Molmil](/molmil-images/mine/1yqu) | Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene | Descriptor: | GUANINE, PHOSPHATE ION, Xanthosine phosphorylase | Authors: | Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M. | Deposit date: | 2005-02-02 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene J.Mol.Biol., 348, 2005
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6SX2
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![BU of 6sx2 by Molmil](/molmil-images/mine/6sx2) | dsRNA recognition by R38AK41A mutant of H7N1 NS1 RNA Binding Domain | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 1, RNA (5'-R(*GP*GP*UP*AP*AP*CP*UP*GP*UP*UP*AP*CP*AP*GP*UP*UP*AP*CP*C)-3') | Authors: | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | Deposit date: | 2019-09-24 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1. Viruses, 12, 2020
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5J2L
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![BU of 5j2l by Molmil](/molmil-images/mine/5j2l) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | protein design 2L4HC2_11 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-29 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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7QQ0
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![BU of 7qq0 by Molmil](/molmil-images/mine/7qq0) | |
6JSE
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![BU of 6jse by Molmil](/molmil-images/mine/6jse) | Crystal Structure of BACE1 in complex with N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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1KHE
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![BU of 1khe by Molmil](/molmil-images/mine/1khe) | PEPCK complex with nonhydrolyzable GTP analog, MAD data | Descriptor: | MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Phosphoenolpyruvate Carboxykinase, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
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1YNT
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![BU of 1ynt by Molmil](/molmil-images/mine/1ynt) | Structure of the monomeric form of T. gondii SAG1 surface antigen bound to a human Fab | Descriptor: | 4F11E12 Fab variable heavy chain region, 4F11E12 Fab variable light chain region, CADMIUM ION, ... | Authors: | Graille, M, Stura, E.A, Bossus, M, Muller, B.H, Letourneur, O, Battail-Poirot, N, Sibai, G, Rolland, D, Le Du, M.H, Ducancel, F. | Deposit date: | 2005-01-25 | Release date: | 2005-12-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the complex between the monomeric form of Toxoplasma gondii surface antigen 1 (SAG1) and a monoclonal antibody that mimics the human immune response J.Mol.Biol., 354, 2005
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7QCP
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![BU of 7qcp by Molmil](/molmil-images/mine/7qcp) | |
6J42
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![BU of 6j42 by Molmil](/molmil-images/mine/6j42) | Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena | Descriptor: | Alr3090 protein, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Bihani, S.C, Chakravarty, D, Ballal, A. | Deposit date: | 2019-01-07 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | Novel molecular insights into the anti-oxidative stress response and structure-function of a salt-inducible cyanobacterial Mn-catalase. Plant Cell Environ, 42, 2019
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6J39
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![BU of 6j39 by Molmil](/molmil-images/mine/6j39) | Crystal structure of CmiS2 with inhibitor | Descriptor: | (3R)-3-[(carboxymethyl)sulfanyl]nonanoic acid, FAD-dependent glycine oxydase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kawasaki, D, Chisuga, T, Miyanaga, A, Kudo, F, Eguchi, T. | Deposit date: | 2019-01-04 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Analysis of the Glycine Oxidase Homologue CmiS2 Reveals a Unique Substrate Recognition Mechanism for Formation of a beta-Amino Acid Starter Unit in Cremimycin Biosynthesis. Biochemistry, 58, 2019
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1KS5
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![BU of 1ks5 by Molmil](/molmil-images/mine/1ks5) | Structure of Aspergillus niger endoglucanase | Descriptor: | Endoglucanase A | Authors: | Khademi, S, Zhang, D, Swanson, S.M, Wartenberg, A, Witte, C, Meyer, E.F. | Deposit date: | 2002-01-10 | Release date: | 2003-01-21 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determination of the structure of an endoglucanase from Aspergillus niger and its mode of inhibition by palladium chloride. Acta Crystallogr.,Sect.D, 58, 2002
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5I9F
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![BU of 5i9f by Molmil](/molmil-images/mine/5i9f) | Crystal structure of designed pentatricopeptide repeat protein dPPR-U10 in complex with its target RNA U10 | Descriptor: | RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U10 | Authors: | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, Y. | Deposit date: | 2016-02-20 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins. Nat Commun, 7, 2016
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7QFF
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![BU of 7qff by Molmil](/molmil-images/mine/7qff) | Peptide VACKSSQP in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-VAL-ALA-CYS-LYS, CHLORIDE ION, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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1YSQ
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![BU of 1ysq by Molmil](/molmil-images/mine/1ysq) | The crystal structure of transcriptional regulator YaiJ | Descriptor: | HTH-type transcriptional regulator yiaJ, PHOSPHATE ION | Authors: | Bochkarev, A, Lunin, V.V, Ezersky, A, Evdokimova, E, Skarina, T, Xu, X, Borek, D, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-02-08 | Release date: | 2005-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural study of effector binding specificity in IclR transcriptional regulators To be Published
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1KMO
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![BU of 1kmo by Molmil](/molmil-images/mine/1kmo) | Crystal structure of the Outer Membrane Transporter FecA | Descriptor: | HEPTANE-1,2,3-TRIOL, Iron(III) dicitrate transport protein fecA, LAURYL DIMETHYLAMINE-N-OXIDE | Authors: | Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J. | Deposit date: | 2001-12-17 | Release date: | 2002-03-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of gating by the outer membrane transporter FecA. Science, 295, 2002
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7QHJ
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![BU of 7qhj by Molmil](/molmil-images/mine/7qhj) | Peptide GAKSAA in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-13 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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1YTR
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![BU of 1ytr by Molmil](/molmil-images/mine/1ytr) | NMR structure of plantaricin a in dpc micelles, 20 structures | Descriptor: | Bacteriocin plantaricin A | Authors: | Kristiansen, P.E, Fimland, G, Mantzilas, D, Nissen-Meyer, J. | Deposit date: | 2005-02-11 | Release date: | 2005-05-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure and mode of action of the membrane-permeabilizing antimicrobial peptide pheromone plantaricin A J.Biol.Chem., 280, 2005
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