6G47
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![BU of 6g47 by Molmil](/molmil-images/mine/6g47) | Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with alpha-(2,8)-Trisialic Acid (DP3) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Liaci, A.M, Stehle, T. | Deposit date: | 2018-03-26 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Polysialic acid is a cellular receptor for human adenovirus 52. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7HVP
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![BU of 7hvp by Molmil](/molmil-images/mine/7hvp) | X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR | Descriptor: | HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365) | Authors: | Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A. | Deposit date: | 1990-09-13 | Release date: | 1993-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor. Proc.Natl.Acad.Sci.USA, 87, 1990
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6SPS
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![BU of 6sps by Molmil](/molmil-images/mine/6sps) | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzamide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(trifluoromethyl)benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2019-09-02 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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6Y87
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6G58
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![BU of 6g58 by Molmil](/molmil-images/mine/6g58) | Structure of the alanine racemase from Staphylococcus aureus in complex with a pyridoxal 5' phosphate-derivative | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (6-but-3-ynyl-4-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate, ... | Authors: | Hoegl, A, Sieber, S.A, Schneider, S. | Deposit date: | 2018-03-29 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mining the cellular inventory of pyridoxal phosphate-dependent enzymes with functionalized cofactor mimics. Nat Chem, 10, 2018
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7T8S
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![BU of 7t8s by Molmil](/molmil-images/mine/7t8s) | Light Harvesting complex phycoerythrin PE 566, from the cryptophyte Cryptomonas pyrenoidifera | Descriptor: | Bilin 584 (doubly linked), Bilin 584 (single linked), Bilin 618 (single linked), ... | Authors: | Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G. | Deposit date: | 2021-12-17 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins. Protein Sci., 32, 2023
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7BUF
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![BU of 7buf by Molmil](/molmil-images/mine/7buf) | Cryo-EM structure of Dengue virus serotype 2 complexed with SIgN-3C IgG | Descriptor: | Dengue virus serotype 2 E protein, Dengue virus serotype 2 M protein, SIgN-3C IgG heavy chain, ... | Authors: | Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M. | Deposit date: | 2020-04-06 | Release date: | 2020-05-13 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms. Cell Rep, 31, 2020
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7OLN
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7TAZ
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![BU of 7taz by Molmil](/molmil-images/mine/7taz) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor | Descriptor: | 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase p51, Reverse transcriptase/ribonuclease H | Authors: | Snyder, A.A, Risener, C.J, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2021-12-21 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor To Be Published
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6NOY
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![BU of 6noy by Molmil](/molmil-images/mine/6noy) | Structure of Cyanothece McdB | Descriptor: | Maintenance of carboxysome positioning B protein, Mcsb | Authors: | Schumacher, M.A. | Deposit date: | 2019-01-16 | Release date: | 2019-04-24 | Last modified: | 2019-06-26 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Structures of maintenance of carboxysome distribution Walker-box McdA and McdB adaptor homologs. Nucleic Acids Res., 47, 2019
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5J75
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![BU of 5j75 by Molmil](/molmil-images/mine/5j75) | Fluorogen Activating Protein AM2.2 in complex with ML342 | Descriptor: | N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide, PHOSPHATE ION, scFv AM2.2 | Authors: | Stanfield, R.L, Wilson, I.A, Wu, Y. | Deposit date: | 2016-04-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair. J Biomol Screen, 21, 2016
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6VUV
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8D0E
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![BU of 8d0e by Molmil](/molmil-images/mine/8d0e) | Human SARM1 TIR domain bound to NB-7 | Descriptor: | 3-(4-chlorophenyl)-N-[4-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]propanamide, NAD(+) hydrolase SARM1 | Authors: | Bratkowski, M.A, Mathur, P. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022
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8D0J
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![BU of 8d0j by Molmil](/molmil-images/mine/8d0j) | Apo Human SARM1 TIR domain | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Bratkowski, M.A, Mathur, P. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022
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6VJF
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![BU of 6vjf by Molmil](/molmil-images/mine/6vjf) | The P-Loop K to A mutation of C. therm Vps1 GTPase-BSE | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Putative sorting protein Vps1 | Authors: | Tornabene, B.A, Varlakhanova, N.V, Chappie, J.S, Ford, M.G.J. | Deposit date: | 2020-01-15 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.472 Å) | Cite: | Structural and functional characterization of the dominant negative P-loop lysine mutation in the dynamin superfamily protein Vps1. Protein Sci., 29, 2020
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6CFJ
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![BU of 6cfj by Molmil](/molmil-images/mine/6cfj) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with histidyl-CAM and bound to mRNA and A-, P-, and E-site tRNAs at 2.8A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S. | Deposit date: | 2018-02-15 | Release date: | 2018-03-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome. J. Mol. Biol., 430, 2018
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8TXA
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![BU of 8txa by Molmil](/molmil-images/mine/8txa) | Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R. | Deposit date: | 2023-08-23 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum To Be Published
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5J89
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![BU of 5j89 by Molmil](/molmil-images/mine/5j89) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, Programmed cell death 1 ligand 1 | Authors: | Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A. | Deposit date: | 2016-04-07 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1). Oncotarget, 7, 2016
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5N0H
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![BU of 5n0h by Molmil](/molmil-images/mine/5n0h) | Crystal structure of NDM-1 in complex with hydrolyzed meropenem - new refinement | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J. | Deposit date: | 2017-02-03 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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6NAZ
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![BU of 6naz by Molmil](/molmil-images/mine/6naz) | Crystal structure of DIRAS 2/3 chimera in complex with GDP | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GTP-binding protein Di-Ras2,GTP-binding protein Di-Ras3,GTP-binding protein Di-Ras2, ... | Authors: | Gilbert, Y.H, Reger, A, Sharma, R, Bast, J, Kim, C. | Deposit date: | 2018-12-06 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.081 Å) | Cite: | Crystal structure of DIRAS 2/3 chimera in complex with GDP To Be Published
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7OBV
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![BU of 7obv by Molmil](/molmil-images/mine/7obv) | |
8TC3
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5J8G
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![BU of 5j8g by Molmil](/molmil-images/mine/5j8g) | Structure of nitroreductase from E. cloacae complexed with para-nitrobenzoic acid | Descriptor: | 4-NITROBENZOIC ACID, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Haynes, C.A, Koder, R.L, Miller, A.-F, Rodgers, D.W. | Deposit date: | 2016-04-07 | Release date: | 2017-05-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase. Structure, 25, 2017
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5N1H
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6NBQ
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![BU of 6nbq by Molmil](/molmil-images/mine/6nbq) | T.elongatus NDH (data-set 1) | Descriptor: | IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 2, ... | Authors: | Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M. | Deposit date: | 2018-12-09 | Release date: | 2019-02-27 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of the complex I-like molecule NDH of oxygenic photosynthesis. Nature, 566, 2019
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