7S9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9x by Molmil](/molmil-images/mine/7s9x) | Crystal structure of CDK2 liganded with compound WN378 | Descriptor: | 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-21 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2) To Be Published
|
|
8BWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bwv by Molmil](/molmil-images/mine/8bwv) | |
8P33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p33 by Molmil](/molmil-images/mine/8p33) | BB0238 from Borrelia burgdorferi | Descriptor: | BB0238 | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | Deposit date: | 2023-05-16 | Release date: | 2023-10-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A unique borrelial protein facilitates microbial immune evasion. Mbio, 14, 2023
|
|
6TZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tzh by Molmil](/molmil-images/mine/6tzh) | ADC-7 in complex with boronic acid transition state inhibitor S06015 | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION, ... | Authors: | Fish, E.R, Powers, R.A, Wallar, B.J. | Deposit date: | 2019-08-12 | Release date: | 2020-06-24 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
|
|
6TZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tzz by Molmil](/molmil-images/mine/6tzz) | |
6LDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ldt by Molmil](/molmil-images/mine/6ldt) | |
4ZDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zdx by Molmil](/molmil-images/mine/4zdx) | Structure of OXA-51 beta-lactamase | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Beta-lactamase, GLYCEROL | Authors: | Smith, C.A, Antunes, N.T, Stewart, N.K, Frase, H, Toth, M, Kantardjieff, K.A, Vakulenko, S.B. | Deposit date: | 2015-04-20 | Release date: | 2015-06-17 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural Basis for Enhancement of Carbapenemase Activity in the OXA-51 Family of Class D beta-Lactamases. Acs Chem.Biol., 10, 2015
|
|
5ZRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zrt by Molmil](/molmil-images/mine/5zrt) | Crystal structure of human C1ORF123 protein | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Rahaman, S.N.A, Yusop, J.M, Mohamed-Hussein, Z.A, Wan Mohd, A, Ho, K.L, Teh, A.H, Waterman, J, Ng, C.L. | Deposit date: | 2018-04-25 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure and functional analysis of human C1ORF123. Peerj, 6, 2018
|
|
8ON4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8on4 by Molmil](/molmil-images/mine/8on4) | |
6OVT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ovt by Molmil](/molmil-images/mine/6ovt) | Crystal Structure of IlvD from Mycobacterium tuberculosis | Descriptor: | DI(HYDROXYETHYL)ETHER, Dihydroxy-acid dehydratase, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Almo, S.C, Grove, T.L, Bonanno, J.B, Baker, E.N, Bashiri, G. | Deposit date: | 2019-05-08 | Release date: | 2019-08-07 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The active site of theMycobacterium tuberculosisbranched-chain amino acid biosynthesis enzyme dihydroxyacid dehydratase contains a 2Fe-2S cluster. J.Biol.Chem., 294, 2019
|
|
8B6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b6d by Molmil](/molmil-images/mine/8b6d) | |
5ZSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zsa by Molmil](/molmil-images/mine/5zsa) | Crystal structure of monkey TLR7 in complex with IMDQ and UUUUUU | Descriptor: | 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | Deposit date: | 2018-04-28 | Release date: | 2019-01-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands. Cell Rep, 25, 2018
|
|
8OND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ond by Molmil](/molmil-images/mine/8ond) | |
6U0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u0o by Molmil](/molmil-images/mine/6u0o) | Crystal structure of a peptidoglycan release complex, SagB-SpdC, in lipidic cubic phase | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, ... | Authors: | Owens, T.W, Schaefer, K, Kahne, D, Walker, S. | Deposit date: | 2019-08-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and reconstitution of a hydrolase complex that may release peptidoglycan from the membrane after polymerization. Nat Microbiol, 6, 2021
|
|
8OK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ok0 by Molmil](/molmil-images/mine/8ok0) | Crystal structure of human NQO1 in complex with the inhibitor PMSF | Descriptor: | ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A. | Deposit date: | 2023-03-26 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF. Febs Lett., 597, 2023
|
|
7SH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sh4 by Molmil](/molmil-images/mine/7sh4) | CD1a-phosphatidylglycerol binary structure | Descriptor: | (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Wegrecki, M, Rossjohn, J. | Deposit date: | 2021-10-07 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Staphylococcal phosphatidylglycerol antigens activate human T cells via CD1a. Nat.Immunol., 24, 2023
|
|
6U1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u1z by Molmil](/molmil-images/mine/6u1z) | |
4ZFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zfj by Molmil](/molmil-images/mine/4zfj) | Ergothioneine-biosynthetic Ntn hydrolase EgtC, apo form | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Amidohydrolase EgtC | Authors: | Vit, A, Seebeck, F.P, Blankenfeldt, W. | Deposit date: | 2015-04-21 | Release date: | 2015-07-01 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC. Chembiochem, 16, 2015
|
|
8P32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p32 by Molmil](/molmil-images/mine/8p32) | BB0238 from Borrelia burgdorferi, Se-Met data for Leu240Met mutant | Descriptor: | BB0238 | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | Deposit date: | 2023-05-16 | Release date: | 2023-10-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A unique borrelial protein facilitates microbial immune evasion. Mbio, 14, 2023
|
|
6O4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o4c by Molmil](/molmil-images/mine/6o4c) | Structure of ALDH7A1 mutant W175A complexed with NAD | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | Deposit date: | 2019-02-28 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1. Febs J., 287, 2020
|
|
7VSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vsw by Molmil](/molmil-images/mine/7vsw) | |
7SH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sh5 by Molmil](/molmil-images/mine/7sh5) | Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | Authors: | Doherty, D.Z, Bell, S.G, Bruning, J. | Deposit date: | 2021-10-08 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
|
|
6A4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a4p by Molmil](/molmil-images/mine/6a4p) | HEWL crystals soaked in 2.5M GuHCl for 40 minutes | Descriptor: | CHLORIDE ION, GUANIDINE, Lysozyme C, ... | Authors: | Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. | Deposit date: | 2018-06-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
|
|
4Z7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z7b by Molmil](/molmil-images/mine/4z7b) | Structure of the enzyme-product complex resulting from TDG action on a GfC mismatch | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ... | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | Deposit date: | 2015-04-07 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA. Nucleic Acids Res., 43, 2015
|
|
7S3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s3y by Molmil](/molmil-images/mine/7s3y) | |