8EXC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8exc by Molmil](/molmil-images/mine/8exc) | Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate | Descriptor: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide, ... | Authors: | Kohlbrand, A.J, O'Herin, C.B. | Deposit date: | 2022-10-25 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of Human Carbonic Anhydrase II Heterobifunctional Degraders. J.Med.Chem., 2023
|
|
8EUK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8euk by Molmil](/molmil-images/mine/8euk) | |
6OPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6opa by Molmil](/molmil-images/mine/6opa) | |
8P5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p5n by Molmil](/molmil-images/mine/8p5n) | Arsenate reductase (ArsC2) from Deinococcus indicus, co-crystallized with arsenate | Descriptor: | ARSENATE, GLYCEROL, Low molecular weight phosphatase family protein | Authors: | Gouveia, A.G, Matias, P.M, Romao, C.V. | Deposit date: | 2023-05-24 | Release date: | 2023-08-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Unraveling the multifaceted resilience of arsenic resistant bacterium Deinococcus indicus . Front Microbiol, 14, 2023
|
|
8F0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f0f by Molmil](/molmil-images/mine/8f0f) | HIV-1 wild type protease with GRL-110-19A, a chloroacetamide derivative based on Darunavir as P2' group | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-11-02 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies. Bioorg.Med.Chem.Lett., 83, 2023
|
|
7SEK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sek by Molmil](/molmil-images/mine/7sek) | Solution structure of the zinc finger domain of murine MetAP1, complexed with ZNG N-terminal peptide | Descriptor: | COBW domain-containing protein 1,Methionine aminopeptidase 1 fusion, ZINC ION | Authors: | Edmonds, K.A, Jordan, M.R, Thalluri, K, Wu, H, Di Marchi, R, Giedroc, D.P. | Deposit date: | 2021-09-30 | Release date: | 2022-06-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Zn-regulated GTPase metalloprotein activator 1 modulates vertebrate zinc homeostasis. Cell, 185, 2022
|
|
6ME2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6me2 by Molmil](/molmil-images/mine/6me2) | XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
|
|
6X6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x6c by Molmil](/molmil-images/mine/6x6c) | Cryo-EM structure of NLRP1-DPP9-VbP complex | Descriptor: | Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1, ... | Authors: | Hollingsworth, L.R, Sharif, H, Griswold, A.R, Fontana, P, Mintseris, J, Dagbay, K.B, Paulo, J.A, Gygi, S.P, Bachovchin, D.A, Wu, H. | Deposit date: | 2020-05-27 | Release date: | 2021-03-10 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation. Nature, 592, 2021
|
|
6OHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ohg by Molmil](/molmil-images/mine/6ohg) | Structure of Plasmodium falciparum vaccine candidate Pfs230D1M in complex with the Fab of a transmission blocking antibody | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 4F12 Heavy chain, ... | Authors: | Garboczi, D.N, Singh, K, Gittis, A.G. | Deposit date: | 2019-04-05 | Release date: | 2020-06-17 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | Structure and function of a malaria transmission blocking vaccine targeting Pfs230 and Pfs230-Pfs48/45 proteins. Commun Biol, 3, 2020
|
|
6U5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u5g by Molmil](/molmil-images/mine/6u5g) | MicroED structure of a FIB-milled CypA Crystal | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Wolff, A.M, Martynowycz, M.W, Zhao, W, Gonen, T, Fraser, J.S, Thompson, M.C. | Deposit date: | 2019-08-27 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals Iucrj, 7, 2020
|
|
6X6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x6a by Molmil](/molmil-images/mine/6x6a) | Cryo-EM structure of NLRP1-DPP9 complex | Descriptor: | Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1 | Authors: | Hollingsworth, L.R, Sharif, H, Griswold, A.R, Fontana, P, Mintseris, J, Dagbay, K.B, Paulo, J.A, Gygi, S.P, Bachovchin, D.A, Wu, H. | Deposit date: | 2020-05-27 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation. Nature, 592, 2021
|
|
8EUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eul by Molmil](/molmil-images/mine/8eul) | cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gable, J.A, Follmer, A.H, Poulos, T.L. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1). J.Am.Chem.Soc., 2023
|
|
6OJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ojd by Molmil](/molmil-images/mine/6ojd) | |
7NF4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nf4 by Molmil](/molmil-images/mine/7nf4) | |
6OJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ojr by Molmil](/molmil-images/mine/6ojr) | Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA | Descriptor: | GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION | Authors: | Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D. | Deposit date: | 2019-04-12 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase. J.Biol.Chem., 294, 2019
|
|
7POG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pog by Molmil](/molmil-images/mine/7pog) | High-resolution structure of native toxin A from Clostridioides difficile | Descriptor: | Toxin A, ZINC ION | Authors: | Boesen, T, Joergensen, R, Aminzadeh, A, Engelbrecht Larsen, C. | Deposit date: | 2021-09-08 | Release date: | 2021-12-08 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | High-resolution structure of native toxin A from Clostridioides difficile. Embo Rep., 23, 2022
|
|
6OLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6olt by Molmil](/molmil-images/mine/6olt) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-17 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
|
|
6XBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xbb by Molmil](/molmil-images/mine/6xbb) | |
6OM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6om2 by Molmil](/molmil-images/mine/6om2) | |
7NLD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nld by Molmil](/molmil-images/mine/7nld) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide, Programmed cell death 1 ligand 1 | Authors: | Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A. | Deposit date: | 2021-02-22 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction. J.Med.Chem., 64, 2021
|
|
6XRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xre by Molmil](/molmil-images/mine/6xre) | Structure of the p53/RNA polymerase II assembly | Descriptor: | Cellular tumor antigen p53, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11-a, ... | Authors: | Liou, S.-H, Singh, S, Singer, R.H, Coleman, R.A, Liu, W. | Deposit date: | 2020-07-12 | Release date: | 2021-03-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structure of the p53/RNA polymerase II assembly. Commun Biol, 4, 2021
|
|
8TCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tcf by Molmil](/molmil-images/mine/8tcf) | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
|
|
5LOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5loj by Molmil](/molmil-images/mine/5loj) | |
6TY6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ty6 by Molmil](/molmil-images/mine/6ty6) | Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ... | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F. | Deposit date: | 2020-01-15 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
|
|
6OO1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oo1 by Molmil](/molmil-images/mine/6oo1) | Dehaloperoxidase B in complex with substrate o-cresol | Descriptor: | 1,2-ETHANEDIOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | Deposit date: | 2019-04-22 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
|
|