8S8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s8c by Molmil](/molmil-images/mine/8s8c) | Structure of Kras in complex with inhibitor MK-1084 | Descriptor: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Day, P.J, Cleasby, A. | Deposit date: | 2024-03-06 | Release date: | 2024-07-10 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 67, 2024
|
|
5LF4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lf4 by Molmil](/molmil-images/mine/5lf4) | Human 20S proteasome complex with Delanzomib at 2.0 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
|
|
6RFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rfe by Molmil](/molmil-images/mine/6rfe) | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4 | Descriptor: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-13 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
|
|
8RSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rsv by Molmil](/molmil-images/mine/8rsv) | |
4X53
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x53 by Molmil](/molmil-images/mine/4x53) | Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Aztreonam | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BICARBONATE ION, Class D beta-lactamase OXA-160 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
|
|
4X56
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x56 by Molmil](/molmil-images/mine/4x56) | Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Class D beta-lactamase OXA-160 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
|
|
5LHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lhx by Molmil](/molmil-images/mine/5lhx) | PB3 Domain of Drosophila melanogaster PLK4 (Sak) | Descriptor: | Serine/threonine-protein kinase PLK4 | Authors: | Cottee, M.A, Lea, S.M. | Deposit date: | 2016-07-13 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies. Biol Open, 6, 2017
|
|
4WWY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wwy by Molmil](/molmil-images/mine/4wwy) | human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor | Descriptor: | CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ... | Authors: | Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S. | Deposit date: | 2014-11-12 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates. J.Biol.Chem., 290, 2015
|
|
6EFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6efu by Molmil](/molmil-images/mine/6efu) | Crystal structure of the double mutant L167W / P172L of the beta-glucosidase from Trichoderma harzianum | Descriptor: | Beta-glucosidase, NITRATE ION | Authors: | Morais, M.A.B, Santos, C.A, Tonoli, C.C.C, Souza, A.P, Murakami, M.T. | Deposit date: | 2018-08-17 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An engineered GH1 beta-glucosidase displays enhanced glucose tolerance and increased sugar release from lignocellulosic materials. Sci Rep, 9, 2019
|
|
8RLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rlj by Molmil](/molmil-images/mine/8rlj) | Structure of the apo form of PIB-1 in an Orthorombic space group | Descriptor: | Class C beta-lactamase-related serine hydrolase | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2024-01-03 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A new type of Class C beta-lactamases defined by PIB-1. A metal-dependent carbapenem-hydrolyzing beta-lactamase, from Pseudomonas aeruginosa: Structural and functional analysis. Int.J.Biol.Macromol., 2024
|
|
6EDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eds by Molmil](/molmil-images/mine/6eds) | Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Glucagon and Substrate-selective Macrocyclic Inhibitor 63 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tan, G.A, Seeliger, M.A, Maianti, J.P, Liu, D.R, Welsh, A.J. | Deposit date: | 2018-08-10 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.18071723 Å) | Cite: | Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme. Nat.Chem.Biol., 15, 2019
|
|
7S38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s38 by Molmil](/molmil-images/mine/7s38) | Cas9:sgRNA:DNA (S. pyogenes) forming a 3-base-pair R-loop | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, Non-target DNA strand, Single-guide RNA, ... | Authors: | Cofsky, J.C, Soczek, K.M, Knott, G.J, Nogales, E, Doudna, J.A. | Deposit date: | 2021-09-04 | Release date: | 2022-04-20 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | CRISPR-Cas9 bends and twists DNA to read its sequence. Nat.Struct.Mol.Biol., 29, 2022
|
|
8RLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rll by Molmil](/molmil-images/mine/8rll) | Structure of the apo form of PIB-1 in an Orthorombic space group | Descriptor: | Class C beta-lactamase-related serine hydrolase | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2024-01-03 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | A new type of Class C beta-lactamases defined by PIB-1. A metal-dependent carbapenem-hydrolyzing beta-lactamase, from Pseudomonas aeruginosa: Structural and functional analysis. Int.J.Biol.Macromol., 2024
|
|
8RLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rlk by Molmil](/molmil-images/mine/8rlk) | Structure of the apo form of PIB-1 in an Orthorombic space group | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Class C beta-lactamase-related serine hydrolase, MAGNESIUM ION, ... | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2024-01-03 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new type of Class C beta-lactamases defined by PIB-1. A metal-dependent carbapenem-hydrolyzing beta-lactamase, from Pseudomonas aeruginosa: Structural and functional analysis. Int.J.Biol.Macromol., 2024
|
|
5LLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lll by Molmil](/molmil-images/mine/5lll) | Crystal structure of DACM wild type Transthyretin | Descriptor: | Transthyretin | Authors: | Sala, B.M, Ghadami, S.A, Bemporad, F, Chiti, F, Ricagno, S. | Deposit date: | 2016-07-27 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | FRET studies of various conformational states adopted by transthyretin. Cell. Mol. Life Sci., 74, 2017
|
|
6M9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m9s by Molmil](/molmil-images/mine/6m9s) | Crystal structure of SeMet SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 | Descriptor: | FE (III) ION, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Rohac, R, Mitchell, A.J, Boal, A.K. | Deposit date: | 2018-08-24 | Release date: | 2019-02-06 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | An N-nitrosating metalloenzyme constructs the pharmacophore of streptozotocin. Nature, 566, 2019
|
|
9B7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9b7e by Molmil](/molmil-images/mine/9b7e) | S_SAD structure of HEWL using lossy compression data with a compression ratio of 422 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Jakoncic, J, Bernstein, H.J, Soares, A.S, Horvat, K. | Deposit date: | 2024-03-27 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Investigation of fast and efficient lossless compression algorithms for macromolecular crystallography experiments To Be Published
|
|
6RVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rvz by Molmil](/molmil-images/mine/6rvz) | Crystal structure of ANGEL2, a 2',3'-cyclic phosphatase, in complex with adenosine-2',3'-vanadate | Descriptor: | ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Kroupova, A, Jinek, M. | Deposit date: | 2019-06-03 | Release date: | 2020-05-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | ANGEL2 is a member of the CCR4 family of deadenylases with 2',3'-cyclic phosphatase activity. Science, 369, 2020
|
|
8P97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p97 by Molmil](/molmil-images/mine/8p97) | |
6ZPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zpl by Molmil](/molmil-images/mine/6zpl) | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions. | Descriptor: | CHLORIDE ION, Endoglucanase H, SODIUM ION, ... | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | Deposit date: | 2020-07-08 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.945 Å) | Cite: | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
|
|
6OF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6of0 by Molmil](/molmil-images/mine/6of0) | Structural basis for multidrug recognition and antimicrobial resistance by MTRR, an efflux pump regulator from Neisseria Gonorrhoeae | Descriptor: | HTH-type transcriptional regulator MtrR, PHOSPHATE ION | Authors: | Beggs, G.A, Kumaraswami, M, Shafer, W, Brennan, R.G. | Deposit date: | 2019-03-28 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural, Biochemical, and In Vivo Characterization of MtrR-Mediated Resistance to Innate Antimicrobials by the Human Pathogen Neisseria gonorrhoeae . J.Bacteriol., 201, 2019
|
|
7SIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7siz by Molmil](/molmil-images/mine/7siz) | C-type inactivation in a voltage gated K+ channel | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Voltage gated potassium channel Kv1.2-Kv2.1, ... | Authors: | Reddi, R, Riederer, E.A, Matulef, K, Whorton, M.R, Valiyaveetil, F.I. | Deposit date: | 2021-10-15 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for C-type inactivation in a Shaker family voltage-gated K + channel. Sci Adv, 8, 2022
|
|
6ZM0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zm0 by Molmil](/molmil-images/mine/6zm0) | |
5LNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lnk by Molmil](/molmil-images/mine/5lnk) | Entire ovine respiratory complex I | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4'-PHOSPHOPANTETHEINE, ... | Authors: | Fiedorczuk, K, Letts, J.A, Kaszuba, K, Sazanov, L.A. | Deposit date: | 2016-08-04 | Release date: | 2016-11-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Atomic structure of the entire mammalian mitochondrial complex I. Nature, 538, 2016
|
|
8SZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8szp by Molmil](/molmil-images/mine/8szp) | Human DHX9 bound to ADP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ... | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | Deposit date: | 2023-05-30 | Release date: | 2023-08-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal structures of the DExH-box RNA helicase DHX9. Acta Crystallogr D Struct Biol, 79, 2023
|
|