6I8L
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![BU of 6i8l by Molmil](/molmil-images/mine/6i8l) | Crystal structure of Spindlin1 in complex with the inhibitor TD001851a | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ... | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-20 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6I8Y
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![BU of 6i8y by Molmil](/molmil-images/mine/6i8y) | Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-21 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6I8B
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![BU of 6i8b by Molmil](/molmil-images/mine/6i8b) | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | Descriptor: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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2MRM
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![BU of 2mrm by Molmil](/molmil-images/mine/2mrm) | |
6ESN
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![BU of 6esn by Molmil](/molmil-images/mine/6esn) | Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2017-10-23 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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6FGQ
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![BU of 6fgq by Molmil](/molmil-images/mine/6fgq) | Ligand complex of RORg LBD | Descriptor: | Nuclear receptor ROR-gamma, methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2018-01-11 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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3GV3
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![BU of 3gv3 by Molmil](/molmil-images/mine/3gv3) | |
6V3Z
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![BU of 6v3z by Molmil](/molmil-images/mine/6v3z) | |
7S5H
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![BU of 7s5h by Molmil](/molmil-images/mine/7s5h) | PCSK9(deltaCRD) in complex with cyclic peptide 35 | Descriptor: | (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Orth, P. | Deposit date: | 2021-09-10 | Release date: | 2021-11-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.272 Å) | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors. J.Med.Chem., 64, 2021
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7S5G
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![BU of 7s5g by Molmil](/molmil-images/mine/7s5g) | PCSK9 in complex with compound 19 | Descriptor: | (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Orth, P. | Deposit date: | 2021-09-10 | Release date: | 2021-11-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.041 Å) | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors. J.Med.Chem., 64, 2021
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3PUR
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![BU of 3pur by Molmil](/molmil-images/mine/3pur) | CEKDM7A from C.Elegans, complex with D-2-HG | Descriptor: | (2R)-2-hydroxypentanedioic acid, FE (II) ION, Lysine-specific demethylase 7 homolog, ... | Authors: | Yang, Y, Wang, P, Xu, W, Xu, Y. | Deposit date: | 2010-12-06 | Release date: | 2011-01-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases Cancer Cell, 19, 2011
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3PUQ
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![BU of 3puq by Molmil](/molmil-images/mine/3puq) | CEKDM7A from C.Elegans, complex with alpha-KG | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ... | Authors: | Yang, Y, Wang, P, Xu, W, Xu, Y. | Deposit date: | 2010-12-06 | Release date: | 2011-01-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases Cancer Cell, 19, 2011
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6WJ6
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![BU of 6wj6 by Molmil](/molmil-images/mine/6wj6) | Cryo-EM structure of apo-Photosystem II from Synechocystis sp. PCC 6803 | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Gisriel, C.J. | Deposit date: | 2020-04-12 | Release date: | 2020-08-26 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Cryo-EM Structure of Monomeric Photosystem II from Synechocystis sp. PCC 6803 Lacking the Water-Oxidation Complex Joule, 2020
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8XK2
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![BU of 8xk2 by Molmil](/molmil-images/mine/8xk2) | A neutralizing nanobody VHH60 against wt SARS-CoV-2 | Descriptor: | Spike protein S1, VHH60 nanobody | Authors: | Lu, Y, Guo, H, Ji, X, Yang, H. | Deposit date: | 2023-12-22 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug. Cell Death Dis, 15, 2024
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8XKI
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![BU of 8xki by Molmil](/molmil-images/mine/8xki) | A neutralizing nanobody VHH60 against wt SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Lu, Y, Guo, H, Ji, X, Yang, H. | Deposit date: | 2023-12-23 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug. Cell Death Dis, 15, 2024
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8Q7H
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![BU of 8q7h by Molmil](/molmil-images/mine/8q7h) | Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated and neddylated conformation - focused cullin dimer | Descriptor: | Cullin-9, E3 ubiquitin-protein ligase RBX1, NEDD8, ... | Authors: | Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A. | Deposit date: | 2023-08-16 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex. Nat.Struct.Mol.Biol., 2024
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8RHZ
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![BU of 8rhz by Molmil](/molmil-images/mine/8rhz) | Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated conformation - symmetry expanded unneddylated dimer | Descriptor: | Cullin-9, E3 ubiquitin-protein ligase RBX1, ZINC ION | Authors: | Hopf, L.V.M, Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | Deposit date: | 2023-12-17 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex. Nat.Struct.Mol.Biol., 2024
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7VWZ
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![BU of 7vwz by Molmil](/molmil-images/mine/7vwz) | Cryo-EM structure of Rob-dependent transcription activation complex in a unique conformation | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Lin, W, Feng, Y, Shi, J. | Deposit date: | 2021-11-12 | Release date: | 2022-06-08 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of transcription activation by Rob, a pleiotropic AraC/XylS family regulator. Nucleic Acids Res., 50, 2022
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7VWY
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8Q7E
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![BU of 8q7e by Molmil](/molmil-images/mine/8q7e) | |
6U3U
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![BU of 6u3u by Molmil](/molmil-images/mine/6u3u) | Crystal Structure of Shiga Toxin 2K | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Shiga toxin 2K subunit A, ... | Authors: | Zhang, Y.Z, He, X.H. | Deposit date: | 2019-08-22 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.287 Å) | Cite: | Structural and Functional Characterization of Stx2k, a New Subtype of Shiga Toxin 2. Microorganisms, 8, 2019
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7LU5
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![BU of 7lu5 by Molmil](/molmil-images/mine/7lu5) | SAMHD1(113-626) H206R D207N R366H | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | Authors: | Temple, J.T, Bowen, N.E. | Deposit date: | 2021-02-20 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.57 Å) | Cite: | Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins. J.Biol.Chem., 297, 2021
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7LTT
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![BU of 7ltt by Molmil](/molmil-images/mine/7ltt) | SAMHD1(113-626) H206R D207N R366C | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION | Authors: | Temple, J.T, Bowen, N.E. | Deposit date: | 2021-02-20 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins. J.Biol.Chem., 297, 2021
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4WF6
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![BU of 4wf6 by Molmil](/molmil-images/mine/4wf6) | Anthrax toxin lethal factor with bound small molecule inhibitor MK-31 | Descriptor: | 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ... | Authors: | Maize, K.M, De la Mora-Rey, T, Finzel, B.C. | Deposit date: | 2014-09-12 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6521 Å) | Cite: | Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates. J.Med.Chem., 58, 2015
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5APK
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![BU of 5apk by Molmil](/molmil-images/mine/5apk) | Ligand complex of RORg LBD | Descriptor: | 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR ROR-GAMMA | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2015-09-16 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
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