188L
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182L
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1E0A
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![BU of 1e0a by Molmil](/molmil-images/mine/1e0a) | Cdc42 complexed with the GTPase binding domain of p21 activated kinase | Descriptor: | Cell division control protein 42 homolog, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Morreale, A, Venkatesan, M, Mott, H.R, Owen, D, Nietlispach, D, Lowe, P.N, Laue, E.D. | Deposit date: | 2000-03-16 | Release date: | 2000-04-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of Cdc42 Bound to the Gtpase Binding Domian of Pak Nat.Struct.Biol., 7, 2000
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2DCX
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![BU of 2dcx by Molmil](/molmil-images/mine/2dcx) | NMR solution structure of the Dermaseptin antimicrobial peptide analog NC12-K4S4(1-13)a | Descriptor: | 12-AMINO-DODECANOIC ACID, Dermaseptin-4 | Authors: | Shalev, D.E, Rotem, S, Fish, A, Mor, A. | Deposit date: | 2006-01-17 | Release date: | 2006-02-28 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Consequences of N-acylation on structure and membrane binding properties of dermaseptin derivative k4-s4-(1-13) J.Biol.Chem., 281, 2006
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2DD6
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![BU of 2dd6 by Molmil](/molmil-images/mine/2dd6) | Solution structure of Dermaseptin antimicrobial peptide truncated, mutated analog, K4-S4(1-13)a | Descriptor: | Dermaseptin-4 | Authors: | Shalev, D.E, Rotem, S, Fish, A, Mor, A. | Deposit date: | 2006-01-19 | Release date: | 2006-02-28 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Consequences of N-acylation on structure and membrane binding properties of dermaseptin derivative k4-s4-(1-13) J.Biol.Chem., 281, 2006
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4UZV
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![BU of 4uzv by Molmil](/molmil-images/mine/4uzv) | Structure of a triple mutant of ASV-TfTrHb | Descriptor: | ACETATE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Baiocco, P, Bonamore, A, Sciamanna, N, Ilari, A, Boechi, L, Boffi, A, Smulevich, G, Feis, A. | Deposit date: | 2014-09-09 | Release date: | 2014-09-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy. J.Phys.Chem.B, 118, 2014
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7NP4
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![BU of 7np4 by Molmil](/molmil-images/mine/7np4) | cAMP-bound rabbit HCN4 stabilized in LMNG-CHS detergent mixture | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | Authors: | Giese, H, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. | Deposit date: | 2021-02-26 | Release date: | 2021-08-11 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Gating movements and ion permeation in HCN4 pacemaker channels. Mol.Cell, 81, 2021
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7NP3
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![BU of 7np3 by Molmil](/molmil-images/mine/7np3) | cAMP-free rabbit HCN4 stabilized in LMNG-CHS detergent mixture | Descriptor: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | Authors: | Giese, H.M, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. | Deposit date: | 2021-02-26 | Release date: | 2021-08-11 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Gating movements and ion permeation in HCN4 pacemaker channels. Mol.Cell, 81, 2021
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4UXM
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![BU of 4uxm by Molmil](/molmil-images/mine/4uxm) | Crystal Structure of Struthiocalcin-1, a different crystal form. | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, STRUTHIOCALCIN-1 | Authors: | Ruiz-Arellano, R.R, Moreno, A, Romero, A. | Deposit date: | 2014-08-26 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms. Acta Crystallogr.,Sect.D, 71, 2015
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5A23
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![BU of 5a23 by Molmil](/molmil-images/mine/5a23) | SdsA sulfatase triclinic form | Descriptor: | SDS HYDROLASE SDSA1, ZINC ION | Authors: | De la Mora, E, Flores-Hernandez, E, Jakoncik, J, Stojanoff, V, Sanchez-Puig, N, Moreno, A. | Deposit date: | 2015-05-11 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques J.Appl.Crystallogr., 48, 2015
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5AIJ
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![BU of 5aij by Molmil](/molmil-images/mine/5aij) | P. aeruginosa SdsA hexagonal polymorph | Descriptor: | ALKYL SULFATASE, GLYCEROL, ZINC ION | Authors: | De la Mora, E, Flores-Hernandez, E, Jakoncic, J, Stojanoff, V, Sanchez-Puig, N, Moreno, A. | Deposit date: | 2015-02-13 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Sdsa Polymorph Isolation and Improvement of Their Crystal Quality Using Nonconventional Crystallization Techniques J.Appl.Crystallogr., 48, 2015
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8IJW
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![BU of 8ijw by Molmil](/molmil-images/mine/8ijw) | Cryo-EM structure of the gastric proton pump with bound DQ-06 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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8IJX
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![BU of 8ijx by Molmil](/molmil-images/mine/8ijx) | Cryo-EM structure of the gastric proton pump with bound DQ-18 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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8IJV
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![BU of 8ijv by Molmil](/molmil-images/mine/8ijv) | Cryo-EM structure of the gastric proton pump with bound DQ-02 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine, ... | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | Deposit date: | 2023-02-28 | Release date: | 2023-08-30 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures. Commun Biol, 6, 2023
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4UWW
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![BU of 4uww by Molmil](/molmil-images/mine/4uww) | Crystallographic Structure of the Intramineral Protein Struthicalcin from Struthio camelus Eggshell | Descriptor: | STRUTHIOCALCIN-1 | Authors: | Ruiz, R.R, Moreno, A, Romero, A. | Deposit date: | 2014-08-14 | Release date: | 2015-04-08 | Last modified: | 2015-04-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms. Acta Crystallogr.,Sect.D, 71, 2015
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6XIO
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![BU of 6xio by Molmil](/molmil-images/mine/6xio) | ADP-dependent kinase complex with fructose-6-phosphate and ADPbetaS | Descriptor: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, 6-O-phosphono-beta-D-fructofuranose, ADP-dependent phosphofructokinase, ... | Authors: | Munoz, S, Gonzalez-Ordenes, F, Fuentes, N, Maturana, P, Herrera-Morande, A, Villalobos, P, Castro-Fernandez, V. | Deposit date: | 2020-06-20 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure of an ancestral ADP-dependent kinase with fructose-6P reveals key residues for binding, catalysis, and ligand-induced conformational changes. J.Biol.Chem., 296, 2020
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7P35
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![BU of 7p35 by Molmil](/molmil-images/mine/7p35) | Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Fabrega-Ferrer, M, Perez-Saavedra, J, Herrera-Morande, A, Coll, M. | Deposit date: | 2021-07-07 | Release date: | 2021-07-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.256 Å) | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404. Antiviral Res., 208, 2022
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5KKG
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![BU of 5kkg by Molmil](/molmil-images/mine/5kkg) | Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ... | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | Deposit date: | 2016-06-21 | Release date: | 2017-07-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
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5K27
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![BU of 5k27 by Molmil](/molmil-images/mine/5k27) | Crystal structure of ancestral protein ancMT of ADP-dependent sugar kinases family. | Descriptor: | ADENOSINE MONOPHOSPHATE, IODIDE ION, ancMT | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | Deposit date: | 2016-05-18 | Release date: | 2017-05-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
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7ZQW
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![BU of 7zqw by Molmil](/molmil-images/mine/7zqw) | Structure of the SARS-CoV-1 main protease in complex with AG7404 | Descriptor: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | Authors: | Muriel-Goni, S, Fabrega-Ferrer, M, Herrera-Morande, A, Coll, M. | Deposit date: | 2022-05-03 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404. Antiviral Res., 208, 2022
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7ZQV
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![BU of 7zqv by Molmil](/molmil-images/mine/7zqv) | Structure of the SARS-CoV-2 main protease in complex with AG7404 | Descriptor: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | Authors: | Fabrega-Ferrer, M, Herrera-Morande, A, Perez-Saavedra, J, Coll, M. | Deposit date: | 2022-05-03 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404. Antiviral Res., 208, 2022
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6PAJ
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1HKF
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![BU of 1hkf by Molmil](/molmil-images/mine/1hkf) | The three dimensional structure of NK cell receptor Nkp44, a triggering partner in natural cytotoxicity | Descriptor: | NK CELL ACTIVATING RECEPTOR | Authors: | Ponassi, M, Cantoni, C, Biassoni, R, Conte, R, Spallarossa, A, Moretta, A, Moretta, L, Bolognesi, M, Bordo, D. | Deposit date: | 2003-03-10 | Release date: | 2003-06-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Three-Dimensional Structure of the Human Nk Cell Receptor Nkp44, a Triggering Partner in Natural Cytotoxicity Structure, 11, 2003
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6XAT
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![BU of 6xat by Molmil](/molmil-images/mine/6xat) | Crystal structure of the human FoxP4 DNA binding Domain | Descriptor: | FOXP4 protein, SODIUM ION | Authors: | VIllalobos, P, Castro-Fernandez, V, Medina, E, Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Ramirez-Sarmiento, C.A, Babul, J. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unraveling the folding and dimerization properties of the human FoxP subfamily of transcription factors. Febs Lett., 597, 2023
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4GUY
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![BU of 4guy by Molmil](/molmil-images/mine/4guy) | Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... | Authors: | Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. | Deposit date: | 2012-08-30 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors. To be Published
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