4UCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ucz by Molmil](/molmil-images/mine/4ucz) | X-ray structure and activities of an essential Mononegavirales L- protein domain | Descriptor: | GUANOSINE, GUANOSINE-5'-TRIPHOSPHATE, RNA-DIRECTED RNA POLYMERASE L, ... | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | Deposit date: | 2014-12-05 | Release date: | 2015-11-18 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain. Nat.Commun., 6, 2015
|
|
4UFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ufi by Molmil](/molmil-images/mine/4ufi) | Mouse Galactocerebrosidase complexed with aza-galacto-fagomine AGF | Descriptor: | (3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
|
|
6XKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xkp by Molmil](/molmil-images/mine/6xkp) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ... | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | Deposit date: | 2020-06-26 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model. Cell, 183, 2020
|
|
4TX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tx0 by Molmil](/molmil-images/mine/4tx0) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bischoff, M, Sippel, C, Bracher, A, Hausch, F. | Deposit date: | 2014-07-02 | Release date: | 2014-10-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Stereoselective Construction of the 5-Hydroxy Diazabicyclo[4.3.1]decane-2-one Scaffold, a Privileged Motif for FK506-Binding Proteins. Org.Lett., 16, 2014
|
|
7P73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p73 by Molmil](/molmil-images/mine/7p73) | The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1 | Descriptor: | CALCIUM ION, GLYCEROL, Protein Tax-1, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun, 13, 2022
|
|
7P4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p4a by Molmil](/molmil-images/mine/7p4a) | Non-canonical Staphylococcus aureus pathogenicity island repression. | Descriptor: | Sri, Stl | Authors: | Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Tan, J.A, Cogdell, R.J, Chen, J, Byron, O, Christie, G.E, Marina, A, Penades, J.R. | Deposit date: | 2021-07-10 | Release date: | 2022-07-27 | Last modified: | 2022-11-16 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Non-canonical Staphylococcus aureus pathogenicity island repression. Nucleic Acids Res., 50, 2022
|
|
4TZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tz2 by Molmil](/molmil-images/mine/4tz2) | Fragment-Based Screening of the Bromodomain of ATAD2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline, ATPase family AAA domain-containing protein 2, ... | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | Deposit date: | 2014-07-09 | Release date: | 2014-10-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem., 57, 2014
|
|
4U59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u59 by Molmil](/molmil-images/mine/4u59) | |
4TVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tvr by Molmil](/molmil-images/mine/4tvr) | Tandem Tudor and PHD domains of UHRF2 | Descriptor: | E3 ubiquitin-protein ligase UHRF2, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Walker, J.R, Dong, A, Zhang, Q, Ong, M, Duan, S, Li, Y, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure of the Tandem Tudor and PHD domains of UHRF2 To be published
|
|
4U5X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u5x by Molmil](/molmil-images/mine/4u5x) | Structure of plant small GTPase OsRac1 complexed with the non-hydrolyzable GTP analog GMPPNP | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Ohki, I, Kosami, K, Fujiwara, T, Nakagawa, A, Shimamoto, K, Kojima, C. | Deposit date: | 2014-07-25 | Release date: | 2014-08-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of the Plant Small GTPase OsRac1 Reveals Its Mode of Binding to NADPH Oxidase J.Biol.Chem., 289, 2014
|
|
4TZT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tzt by Molmil](/molmil-images/mine/4tzt) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ENOYL REDUCTASE (INHA) COMPLEXED WITH N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | Descriptor: | (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
|
|
4U01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u01 by Molmil](/molmil-images/mine/4u01) | HCV NS3/4A serine protease in complex with 6570 | Descriptor: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ... | Authors: | Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D. | Deposit date: | 2014-07-11 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320. Bioorg.Med.Chem.Lett., 25, 2015
|
|
7PA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pa2 by Molmil](/molmil-images/mine/7pa2) | PARK7 with inhibitor 8RK64 | Descriptor: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7 | Authors: | Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P. | Deposit date: | 2021-07-28 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput. J.Med.Chem., 65, 2022
|
|
7PA3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pa3 by Molmil](/molmil-images/mine/7pa3) | PARK7 with covalent inhibitor JYQ-88 | Descriptor: | (3~{S})-~{N}-[5-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethanoyl]-6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(iminomethyl)pyrrolidine-3-carboxamide, Parkinson disease protein 7 | Authors: | Kim, R.Q, Jia, Y, Sapmaz, A, Geurink, P.P. | Deposit date: | 2021-07-28 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput. J.Med.Chem., 65, 2022
|
|
6XWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xwu by Molmil](/molmil-images/mine/6xwu) | Crystal structure of drosophila melanogaster CENP-C cumin domain | Descriptor: | RE68959p | Authors: | Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. | Deposit date: | 2020-01-24 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
|
|
4UDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4udf by Molmil](/molmil-images/mine/4udf) | STRUCTURAL BASIS OF HUMAN PARECHOVIRUS NEUTRALIZATION BY HUMAN MONOCLONAL ANTIBODIES | Descriptor: | HUMAN MONOCLONAL ANTIBODY, Protein VP0, Protein VP3 | Authors: | Shakeel, S, Westerhuis, B.M, Ora, A, Koen, G, Bakker, A.Q, Claassen, Y, Beaumont, T, Wolthers, K.C, Butcher, S.J. | Deposit date: | 2014-12-10 | Release date: | 2015-07-22 | Last modified: | 2018-10-03 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Structural Basis of Human Parechovirus Neutralization by Human Monoclonal Antibodies. J. Virol., 89, 2015
|
|
4U32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u32 by Molmil](/molmil-images/mine/4u32) | Human mesotrypsin complexed with HAI-2 Kunitz domain 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Kunitz-type protease inhibitor 2, ... | Authors: | Wang, R, Soares, A.S, Radisky, E.S. | Deposit date: | 2014-07-18 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Sequence and Conformational Specificity in Substrate Recognition: SEVERAL HUMAN KUNITZ PROTEASE INHIBITOR DOMAINS ARE SPECIFIC SUBSTRATES OF MESOTRYPSIN. J.Biol.Chem., 289, 2014
|
|
7ONC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7onc by Molmil](/molmil-images/mine/7onc) | Crystal structure of the computationally designed SAKe6BE protein | Descriptor: | SAKe6BE | Authors: | Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S. | Deposit date: | 2021-05-25 | Release date: | 2022-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies To be published
|
|
7OPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7opv by Molmil](/molmil-images/mine/7opv) | Crystal structure of the computationally designed SAKe6BE-3HH protein, alternative packing | Descriptor: | SAKe6BE-3HH | Authors: | Wouters, S.M.L, Noguchi, H, Clarke, D.E, Voet, A.R.D, De Feyter, S. | Deposit date: | 2021-06-01 | Release date: | 2022-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies To be published
|
|
6ZM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zm6 by Molmil](/molmil-images/mine/6zm6) | Human mitochondrial ribosome in complex with mRNA, A/A tRNA and P/P tRNA | Descriptor: | 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ... | Authors: | Itoh, Y, Andrell, J, Amunts, A. | Deposit date: | 2020-07-01 | Release date: | 2021-01-13 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Mechanism of membrane-tethered mitochondrial protein synthesis. Science, 371, 2021
|
|
4UCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ucm by Molmil](/molmil-images/mine/4ucm) | |
6XF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xf9 by Molmil](/molmil-images/mine/6xf9) | Crystal structure of KSHV ORF68 | Descriptor: | Packaging protein UL32, ZINC ION | Authors: | Didychuk, A.L, Gates, S.N, Martin, A, Glaunsinger, B. | Deposit date: | 2020-06-15 | Release date: | 2021-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A pentameric protein ring with novel architecture is required for herpesviral packaging. Elife, 10, 2021
|
|
7ONM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7onm by Molmil](/molmil-images/mine/7onm) | Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
|
|
7ONQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7onq by Molmil](/molmil-images/mine/7onq) | Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
|
|
7ONV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7onv by Molmil](/molmil-images/mine/7onv) | Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-26 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
|
|