1FFU
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![BU of 1ffu by Molmil](/molmil-images/mine/1ffu) | CARBON MONOXIDE DEHYDROGENASE FROM HYDROGENOPHAGA PSEUDOFLAVA WHICH LACKS THE MO-PYRANOPTERIN MOIETY OF THE MOLYBDENUM COFACTOR | Descriptor: | CUTL, MOLYBDOPROTEIN OF CARBON MONOXIDE DEHYDROGENASE, CUTM, ... | Authors: | Haenzelmann, P, Dobbek, H, Gremer, L, Huber, R, Meyer, O. | Deposit date: | 2000-07-26 | Release date: | 2000-09-15 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The effect of intracellular molybdenum in Hydrogenophaga pseudoflava on the crystallographic structure of the seleno-molybdo-iron-sulfur flavoenzyme carbon monoxide dehydrogenase. J.Mol.Biol., 301, 2000
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2O68
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![BU of 2o68 by Molmil](/molmil-images/mine/2o68) | Crystal Structure of Haemophilus influenzae Q58L mutant FbpA | Descriptor: | FE (III) ION, Iron-utilization periplasmic protein, PHOSPHATE ION | Authors: | Shouldice, S.R, Tari, L.W. | Deposit date: | 2006-12-07 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The role of the synergistic phosphate anion in iron transport by the periplasmic iron-binding protein from Haemophilus influenzae. Biochem.J., 403, 2007
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2I42
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8YUA
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![BU of 8yua by Molmil](/molmil-images/mine/8yua) | Tubulin-RB3-TTL in complex with compound SI10 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[3,2-d]pyrimidin-4-amine, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The complex structure of tubulin-RB3-TTL in complex with compound SI10 To Be Published
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9AZJ
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9BKM
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![BU of 9bkm by Molmil](/molmil-images/mine/9bkm) | DHODH in complex with Ligand 10 | Descriptor: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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9BD3
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![BU of 9bd3 by Molmil](/molmil-images/mine/9bd3) | Structure of the MAGEA4 MHD-RAD18 R6BD Complex | Descriptor: | E3 ubiquitin-protein ligase RAD18, Melanoma antigen A 4 | Authors: | Forker, K, Zhou, P. | Deposit date: | 2024-04-10 | Release date: | 2024-06-05 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structure of MAGEA4 MHD-RAD18 R6BD reveals a flipped binding mode compared to AlphaFold2 prediction. Embo J., 43, 2024
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6DA3
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![BU of 6da3 by Molmil](/molmil-images/mine/6da3) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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9CA1
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![BU of 9ca1 by Molmil](/molmil-images/mine/9ca1) | Human TOP3B-TDRD3 core complex in DNA religation state | Descriptor: | DNA (5'-D(*AP*TP*T)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*AP*A)-3'), DNA topoisomerase 3-beta-1, ... | Authors: | Yang, X, Chen, X, Yang, W, Pommier, Y. | Deposit date: | 2024-06-16 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structural Insights into human Topoisomerase 3-beta DNA and RNA catalytic cycles and topo-gate dynamics To Be Published
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9GSS
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![BU of 9gss by Molmil](/molmil-images/mine/9gss) | HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ... | Authors: | Oakley, A, Parker, M. | Deposit date: | 1997-08-14 | Release date: | 1998-09-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution. J.Mol.Biol., 274, 1997
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8YU9
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![BU of 8yu9 by Molmil](/molmil-images/mine/8yu9) | Tubulin-RB3-TTL in complex with compound SI10 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The crystal structure of tubulin-RB3-TTL in complex with compound AB10 To Be Published
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6CIH
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![BU of 6cih by Molmil](/molmil-images/mine/6cih) | Crystal structure of a group II intron lariat in the post-catalytic state | Descriptor: | IRIDIUM HEXAMMINE ION, MAGNESIUM ION, RNA (5'-R(P*UP*GP*UP*UP*UP*AP*UP*UP*AP*AP*AP*AP*AP*C*-3'), ... | Authors: | Chan, R.T, Peters, J.K, Robart, A.R, Wiryaman, T, Rajashankar, K.R, Toor, N. | Deposit date: | 2018-02-23 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.676 Å) | Cite: | Structural basis for the second step of group II intron splicing. Nat Commun, 9, 2018
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9B0B
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8CCT
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![BU of 8cct by Molmil](/molmil-images/mine/8cct) | Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A | Descriptor: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2 | Authors: | Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A To Be Published
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8SUA
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![BU of 8sua by Molmil](/molmil-images/mine/8sua) | Structure of M. baixiangningiae DarR-ligand complex | Descriptor: | 3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol, DarR | Authors: | Schumacher, M.A. | Deposit date: | 2023-05-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding. Nat Commun, 14, 2023
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9BKN
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![BU of 9bkn by Molmil](/molmil-images/mine/9bkn) | DHODH in complex with Ligand 16 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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9B0Z
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9B12
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9BKO
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![BU of 9bko by Molmil](/molmil-images/mine/9bko) | DHODH in complex with Ligand 26 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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9BU1
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8ZMG
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![BU of 8zmg by Molmil](/molmil-images/mine/8zmg) | Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A | Descriptor: | 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, Pimavanserin | Authors: | Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K. | Deposit date: | 2024-05-23 | Release date: | 2024-08-28 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis. J.Med.Chem., 67, 2024
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1YPO
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![BU of 1ypo by Molmil](/molmil-images/mine/1ypo) | |
6DA2
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![BU of 6da2 by Molmil](/molmil-images/mine/6da2) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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5ZB2
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![BU of 5zb2 by Molmil](/molmil-images/mine/5zb2) | Crystal structure of Rad7 and Elc1 complex in yeast | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Jiang, T, Liu, L, Huo, Y. | Deposit date: | 2018-02-09 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.30000544 Å) | Cite: | Crystal structure of the yeast Rad7-Elc1 complex and assembly of the Rad7-Rad16-Elc1-Cul3 complex. DNA Repair (Amst.), 77, 2019
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8YEW
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![BU of 8yew by Molmil](/molmil-images/mine/8yew) | TRIP4 ASCH domain in unliganded form | Descriptor: | Activating signal cointegrator 1 | Authors: | Ding, J, Yang, H, Hu, C. | Deposit date: | 2024-02-23 | Release date: | 2024-06-26 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role. Structure, 32, 2024
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