5I73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i73 by Molmil](/molmil-images/mine/5i73) | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central and allosteric sites | Descriptor: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOHEXANOIC ACID, ... | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | Deposit date: | 2016-02-16 | Release date: | 2016-04-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
|
|
4X4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x4a by Molmil](/molmil-images/mine/4x4a) | Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with 2,7-Anhydro-Neu5Ac | Descriptor: | 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID, ACETYL GROUP, Anhydrosialidase, ... | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | Deposit date: | 2014-12-02 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation. Nat Commun, 6, 2015
|
|
6OBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6obl by Molmil](/molmil-images/mine/6obl) | JAK2 JH2 in complex with JAK168 | Descriptor: | Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-21 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
|
|
6R7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r7y by Molmil](/molmil-images/mine/6r7y) | CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (low Ca2+, closed form) | Descriptor: | Anoctamin-10, CALCIUM ION | Authors: | Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-29 | Release date: | 2019-05-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K. Nat Commun, 10, 2019
|
|
8OGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ogx by Molmil](/molmil-images/mine/8ogx) | Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794 | Descriptor: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, PHOSPHATE ION, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | Deposit date: | 2023-03-20 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
|
|
1S9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1s9g by Molmil](/molmil-images/mine/1s9g) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R120394. | Descriptor: | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase] | Authors: | Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E. | Deposit date: | 2004-02-04 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants. J.Med.Chem., 47, 2004
|
|
7NYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nyd by Molmil](/molmil-images/mine/7nyd) | cryoEM structure of 2C9-sMAC | 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: | Menny, A, Couves, E.C, Bubeck, D. | Deposit date: | 2021-03-22 | Release date: | 2021-10-06 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural basis of soluble membrane attack complex packaging for clearance. Nat Commun, 12, 2021
|
|
1M3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m3v by Molmil](/molmil-images/mine/1m3v) | FLIN4: Fusion of the LIM binding domain of Ldb1 and the N-terminal LIM domain of LMO4 | Descriptor: | ZINC ION, fusion of the LIM interacting domain of ldb1 and the N-terminal LIM domain of LMO4 | Authors: | Deane, J.E, Mackay, J.P, Kwan, A.H.Y, Sum, E.Y, Visvader, J.E, Matthews, J.M. | Deposit date: | 2002-06-30 | Release date: | 2003-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for the recognition of ldb1 by the N-terminal LIM domains of LMO2 and LMO4 EMBO J., 22, 2003
|
|
5N0Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n0z by Molmil](/molmil-images/mine/5n0z) | hPAD4 crystal complex with AFM-41a | Descriptor: | 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, CALCIUM ION, Protein-arginine deiminase type-4, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-03 | Release date: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
|
|
6O6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o6c by Molmil](/molmil-images/mine/6o6c) | RNA polymerase II elongation complex arrested at a CPD lesion | Descriptor: | DNA (27-MER), DNA (5'-D(P*GP*GP*AP*GP*AP*AP*GP*GP*AP*GP*CP*AP*GP*AP*GP*C)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Lahiri, I, Leshziner, A.E. | Deposit date: | 2019-03-05 | Release date: | 2019-06-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | 3.1 angstrom structure of yeast RNA polymerase II elongation complex stalled at a cyclobutane pyrimidine dimer lesion solved using streptavidin affinity grids. J.Struct.Biol., 207, 2019
|
|
5N1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n1b by Molmil](/molmil-images/mine/5n1b) | hPAD4 crystal complex with AFM-14a | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-06 | Release date: | 2017-05-24 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
|
|
6R60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r60 by Molmil](/molmil-images/mine/6r60) | |
8OI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oi4 by Molmil](/molmil-images/mine/8oi4) | Metagenomic Beta-galactosidase from Glycoside Hydrolase family GH154 | Descriptor: | Beta-galactosidase, CHLORIDE ION, GLYCEROL | Authors: | Pijning, T, Hameleers, L, Jurak, E, Guskov, A. | Deposit date: | 2023-03-22 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel beta-galactosidase activity and first crystal structure of Glycoside Hydrolase family 154. N Biotechnol, 80, 2023
|
|
6FPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fpw by Molmil](/molmil-images/mine/6fpw) | Structure of fully reduced Hydrogenase (Hyd-1) | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | Deposit date: | 2018-02-12 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J. Am. Chem. Soc., 140, 2018
|
|
6G95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g95 by Molmil](/molmil-images/mine/6g95) | Crystal structure of Ebolavirus glycoprotein in complex with thioridazine | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | Deposit date: | 2018-04-10 | Release date: | 2018-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs. J. Med. Chem., 61, 2018
|
|
8OGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ogd by Molmil](/molmil-images/mine/8ogd) | Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ... | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | Deposit date: | 2023-03-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
|
|
7UKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ukv by Molmil](/molmil-images/mine/7ukv) | Wild type EGFR in complex with Lazertinib (YH25448) | Descriptor: | Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide | Authors: | Beyett, T.S, Pham, C, Eck, M.J, Heppner, D.E. | Deposit date: | 2022-04-02 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448). Acs Med.Chem.Lett., 13, 2022
|
|
6LYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lyf by Molmil](/molmil-images/mine/6lyf) | |
8OGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oge by Molmil](/molmil-images/mine/8oge) | Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | Deposit date: | 2023-03-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
|
|
5ECY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ecy by Molmil](/molmil-images/mine/5ecy) | |
3I2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i2b by Molmil](/molmil-images/mine/3i2b) | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase | Descriptor: | 1,2-ETHANEDIOL, 6-pyruvoyl tetrahydrobiopterin synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ugochukwu, E, Cocking, R, Pilka, E, Yue, W.W, Bray, J.E, Chaikuad, A, Krojer, T, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-29 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase To be Published
|
|
2GHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ghp by Molmil](/molmil-images/mine/2ghp) | Crystal structure of the N-terminal 3 RNA binding domains of the yeast splicing factor Prp24 | Descriptor: | U4/U6 snRNA-associated splicing factor PRP24 | Authors: | Bae, E, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2006-03-27 | Release date: | 2006-04-25 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and interactions of the first three RNA recognition motifs of splicing factor prp24. J.Mol.Biol., 367, 2007
|
|
5EEB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eeb by Molmil](/molmil-images/mine/5eeb) | Apo form of thermostable aldehyde dehydrogenase from Pyrobaculum sp. 1860 | Descriptor: | Aldehyde dehydrogenase | Authors: | Petrova, T.E, Bezsudnova, E.Y, Boyko, K.M, Mardanov, A.V, Gumerov, V.M, Ravin, N.V, Popov, V.O. | Deposit date: | 2015-10-22 | Release date: | 2016-11-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.038 Å) | Cite: | NADP-Dependent Aldehyde Dehydrogenase from ArchaeonPyrobaculum sp.1860: Structural and Functional Features. Archaea, 2016, 2016
|
|
6Q9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q9y by Molmil](/molmil-images/mine/6q9y) | |
6PZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pz0 by Molmil](/molmil-images/mine/6pz0) | Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and L-Tyrosine | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, TYROSINE, ... | Authors: | Sun, Z, Kavran, J.M, Rokita, S.E. | Deposit date: | 2019-07-31 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana. J.Biol.Chem., 297, 2021
|
|