7VS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vs4 by Molmil](/molmil-images/mine/7vs4) | Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex | Descriptor: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | Authors: | Zhu, J, Gao, P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems. Nat Commun, 13, 2022
|
|
7VRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vru by Molmil](/molmil-images/mine/7vru) | Crystal structure of PacII_M1M2S-DNA-SAH complex | Descriptor: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | Authors: | Zhu, J, Gao, P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems. Nat Commun, 13, 2022
|
|
5ENB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5enb by Molmil](/molmil-images/mine/5enb) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
|
|
5ENI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eni by Molmil](/molmil-images/mine/5eni) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
|
|
7SXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sxq by Molmil](/molmil-images/mine/7sxq) | Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag | Descriptor: | 1,2-ETHANEDIOL, Apicoplast DNA polymerase, CHLORIDE ION, ... | Authors: | Nieto, N, Chheda, P, Kerns, R, Nelson, S, Honzatko, R. | Deposit date: | 2021-11-24 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum. Eur.J.Med.Chem., 243, 2022
|
|
8BRR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8brr by Molmil](/molmil-images/mine/8brr) | Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. | Deposit date: | 2022-11-23 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency Cryst.Growth Des., 2023
|
|
8R3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r3b by Molmil](/molmil-images/mine/8r3b) | |
8BSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bsa by Molmil](/molmil-images/mine/8bsa) | Vc1313-LBD bound to D-arginine | Descriptor: | D-ARGININE, Methyl-accepting chemotaxis protein | Authors: | ter Beek, J, Berntsson, R.P.-A. | Deposit date: | 2022-11-24 | Release date: | 2023-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D-amino acids signal a stress-dependent run-away response in Vibrio cholerae. Nat Microbiol, 8, 2023
|
|
8BSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bsb by Molmil](/molmil-images/mine/8bsb) | Vc1313-LBD bound to D-lysine | Descriptor: | D-LYSINE, Methyl-accepting chemotaxis protein | Authors: | ter Beek, J, Berntsson, R.P.-A. | Deposit date: | 2022-11-24 | Release date: | 2023-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D-amino acids signal a stress-dependent run-away response in Vibrio cholerae. Nat Microbiol, 8, 2023
|
|
8AMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8amd by Molmil](/molmil-images/mine/8amd) | Cryo-EM structure of the RecA presynaptic filament from S.pneumoniae | Descriptor: | DNA, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein RecA | Authors: | Perry, T.N, Fronzes, R, Polard, P, Hertzog, M. | Deposit date: | 2022-08-03 | Release date: | 2023-03-22 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Assembly mechanism and cryoEM structure of RecA recombination nucleofilaments from Streptococcus pneumoniae. Nucleic Acids Res., 51, 2023
|
|
5XP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xp9 by Molmil](/molmil-images/mine/5xp9) | Crystal structure of Bismuth bound NDM-1 | Descriptor: | Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2 | Authors: | Zhang, H, Ma, G, Lai, T.P, Sun, H. | Deposit date: | 2017-06-01 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors Nat Commun, 9, 2018
|
|
7SXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sxl by Molmil](/molmil-images/mine/7sxl) | Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Nieto, N, Chheda, P, Kerns, R, Nelson, S, Honzatko, R. | Deposit date: | 2021-11-23 | Release date: | 2022-10-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum. Eur.J.Med.Chem., 243, 2022
|
|
6Z54
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z54 by Molmil](/molmil-images/mine/6z54) | Crystal structure of CLK3 in complex with macrocycle ODS2003178 | Descriptor: | 1,2-ETHANEDIOL, 11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003178 To Be Published
|
|
8CX8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cx8 by Molmil](/molmil-images/mine/8cx8) | Stx2A1-BTB13086 | Descriptor: | 1,2-ETHANEDIOL, 5-(4-chlorophenyl)furan-2-carboxylic acid, CHLORIDE ION, ... | Authors: | Rudolph, M.J, Li, X.P. | Deposit date: | 2022-05-20 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Stx2A1-BTB13086 To Be Published
|
|
8EFF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eff by Molmil](/molmil-images/mine/8eff) | CryoEM of the soluble OPA1 tetramer from the GDP-AlFx bound helical assembly on a lipid membrane | Descriptor: | Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | Deposit date: | 2022-09-08 | Release date: | 2023-06-28 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (5.48 Å) | Cite: | OPA1 helical structures give perspective to mitochondrial dysfunction. Nature, 620, 2023
|
|
8UIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uif by Molmil](/molmil-images/mine/8uif) | Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365096A | Descriptor: | 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2S)-oxolan-2-yl]-3-[(3S)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide | Authors: | Concha, N.O, Williams, S.P. | Deposit date: | 2023-10-10 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement. Bioorg.Med.Chem., 100, 2024
|
|
6VLN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vln by Molmil](/molmil-images/mine/6vln) | Crystal structure of 4498 Fab in complex with circumsporozoite protein DND3 and anti-Kappa VHH domain | Descriptor: | 4498 Fab heavy chain, 4498 Fab light chain, Circumsporozoite protein, ... | Authors: | Thai, E, Scally, S.W, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2020-01-24 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
|
|
6NDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ndb by Molmil](/molmil-images/mine/6ndb) | |
7WGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wgk by Molmil](/molmil-images/mine/7wgk) | Crystal structure of Adenosine triphosphate phosphoribosyltransferase (HisG) from Acinetobacter baumannii at 3.13 A resolution | Descriptor: | ATP phosphoribosyltransferase | Authors: | Ahmad, N, Maurya, A, Singh, P.K, Viswanathan, V, Sharma, P, Singh, T.P, Sharma, S. | Deposit date: | 2021-12-28 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Crystal structure of Adenosine triphosphate phosphoribosyltransferase (HisG) from Acinetobacter baumannii at 3.13 A resolution To Be Published
|
|
7WBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wbq by Molmil](/molmil-images/mine/7wbq) | |
4TN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tn4 by Molmil](/molmil-images/mine/4tn4) | Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 33G: (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | Descriptor: | (4S)-6-amino-4-(5-cyano-3'-fluorobiphenyl-3-yl)-4-cyclobutyl-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C. | Deposit date: | 2014-06-03 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities. J.Med.Chem., 58, 2015
|
|
1BMW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bmw by Molmil](/molmil-images/mine/1bmw) | A fibronectin type III fold in plant allergens: The solution structure of Phl PII from timothy grass pollen, NMR, 38 STRUCTURES | Descriptor: | POLLEN ALLERGEN PHL P2 | Authors: | De Marino, S, Morelli, M.A.C, Fraternali, F, Tamborino, E, Vrtala, S, Dolecek, C, Arosio, P, Valenta, R, Pastore, A. | Deposit date: | 1998-07-27 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An Immunoglobulin-Like Fold in a Major Plant Allergen: The Solution Structure of Phl P 2 from Timothy Grass Pollen. Structure Fold.Des., 7, 1999
|
|
8UIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uia by Molmil](/molmil-images/mine/8uia) | |
7D0X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d0x by Molmil](/molmil-images/mine/7d0x) | |
8V1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v1l by Molmil](/molmil-images/mine/8v1l) | |