7Q6W
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![BU of 7q6w by Molmil](/molmil-images/mine/7q6w) | Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) | Descriptor: | (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
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7Q6V
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![BU of 7q6v by Molmil](/molmil-images/mine/7q6v) | Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14) | Descriptor: | (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Patel, S.J, Winter-Holt, J.J. | Deposit date: | 2021-11-09 | Release date: | 2022-01-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
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1AZD
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![BU of 1azd by Molmil](/molmil-images/mine/1azd) | CONCANAVALIN FROM CANAVALIA BRASILIENSIS | Descriptor: | CALCIUM ION, CONBR, MANGANESE (II) ION | Authors: | Sanz-Aparicio, J, Hermoso, J, Grangeiro, T.B, Calvete, J.J, Cavada, B.S. | Deposit date: | 1997-11-16 | Release date: | 1998-04-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of Canavalia brasiliensis lectin suggests a correlation between its quaternary conformation and its distinct biological properties from Concanavalin A. FEBS Lett., 405, 1997
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8FAX
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![BU of 8fax by Molmil](/molmil-images/mine/8fax) | Fab 1249A8-MERS Stem Helix Complex | Descriptor: | 1249A8-HC, 1249A8-LC, CHLORIDE ION, ... | Authors: | Deshpande, A, Schormann, N, Piepenbrink, M.S, Martinez-Sobrido, L, Kobie, J.J, Walter, M.R. | Deposit date: | 2022-11-28 | Release date: | 2023-05-03 | Last modified: | 2023-07-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and epitope of a neutralizing monoclonal antibody that targets the stem helix of beta coronaviruses. Febs J., 290, 2023
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8DKG
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![BU of 8dkg by Molmil](/molmil-images/mine/8dkg) | Structure of PYCR1 Thr171Met variant complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isoform 3 of Pyrroline-5-carboxylate reductase 1, mitochondrial, ... | Authors: | Meeks, K.R, Tanner, J.J. | Deposit date: | 2022-07-05 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Functional Impact of a Cancer-Related Variant in Human Delta 1 -Pyrroline-5-Carboxylate Reductase 1. Acs Omega, 8, 2023
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1XLS
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![BU of 1xls by Molmil](/molmil-images/mine/1xls) | Crystal structure of the mouse CAR/RXR LBD heterodimer bound to TCPOBOP and 9cRA and a TIF2 peptide containg the third LXXLL motifs | Descriptor: | (9cis)-retinoic acid, 3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE, Nuclear receptor coactivator 2, ... | Authors: | Suino, K, peng, L, Reynolds, R, Li, Y, Cha, J.-Y, Repa, J.J, Kliewer, S.A, Xu, H.E. | Deposit date: | 2004-09-30 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | The nuclear xenobiotic receptor CAR: structural determinants of constitutive activation and heterodimerization. Mol.Cell, 16, 2004
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3RAB
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![BU of 3rab by Molmil](/molmil-images/mine/3rab) | GPPNHP-BOUND RAB3A AT 2.0 A RESOLUTION | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PROTEIN (RAB3A) | Authors: | Dumas, J.J, Zhu, Z, Connolly, J.L, Lambright, D.G. | Deposit date: | 1998-11-16 | Release date: | 1999-04-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of activation and GTP hydrolysis in Rab proteins. Structure Fold.Des., 7, 1999
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3EYZ
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![BU of 3eyz by Molmil](/molmil-images/mine/3eyz) | Cocrystal structure of Bacillus fragment DNA polymerase I with duplex DNA (open form) | Descriptor: | 5'-D(*DAP*DTP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DAP*DGP*DGP*DA)-3', 5'-D(*DCP*DCP*DTP*DGP*DAP*DCP*DTP*DCP*DGP*DC)-3', DNA polymerase I, ... | Authors: | Warren, J.J, Wu, E.Y, Golosov, A.A, Karplus, M, Beese, L.S. | Deposit date: | 2008-10-22 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Mechanism of the Translocation Step in DNA Replication by DNA Polymerase I: A Computer Simulation Analysis. Structure, 18, 2010
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3QWZ
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![BU of 3qwz by Molmil](/molmil-images/mine/3qwz) | Crystal structure of FAF1 UBX-p97N-domain complex | Descriptor: | FAS-associated factor 1, Transitional endoplasmic reticulum ATPase | Authors: | Park, J.K, Jeon, H, Lee, J.J, Kim, K.H, Lee, K.J, Kim, E.E. | Deposit date: | 2011-02-28 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dissection of the interaction between FAF1 UBX and p97 To be Published
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8FOX
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![BU of 8fox by Molmil](/molmil-images/mine/8fox) | AbeH (Tryptophan-5-halogenase) | Descriptor: | SULFATE ION, Tryptophan 5-halogenase | Authors: | Ashaduzzaman, M, Bellizzi, J.J. | Deposit date: | 2023-01-03 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH. Biorxiv, 2023
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4X0U
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![BU of 4x0u by Molmil](/molmil-images/mine/4x0u) | Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde | Descriptor: | 4-(diethylamino)benzaldehyde, Alpha-aminoadipic semialdehyde dehydrogenase, MAGNESIUM ION | Authors: | Luo, M, Tanner, J.J. | Deposit date: | 2014-11-23 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Diethylaminobenzaldehyde Is a Covalent, Irreversible Inactivator of ALDH7A1. Acs Chem.Biol., 10, 2015
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8FOV
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![BU of 8fov by Molmil](/molmil-images/mine/8fov) | AbeH (Tryptophan-5-halogenase) bound to FAD and Cl | Descriptor: | ACETATE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Ashaduzzaman, M, Bellizzi, J.J. | Deposit date: | 2023-01-03 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH. Biorxiv, 2023
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3F57
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![BU of 3f57 by Molmil](/molmil-images/mine/3f57) | |
4X0T
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![BU of 4x0t by Molmil](/molmil-images/mine/4x0t) | |
8CZ9
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![BU of 8cz9 by Molmil](/molmil-images/mine/8cz9) | |
4XB9
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![BU of 4xb9 by Molmil](/molmil-images/mine/4xb9) | |
5BZ6
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![BU of 5bz6 by Molmil](/molmil-images/mine/5bz6) | Crystal structure of the N-terminal domain single mutant (S92A) of the human mitochondrial calcium uniporter fused with T4 lysozyme | Descriptor: | Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION | Authors: | Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H. | Deposit date: | 2015-06-11 | Release date: | 2015-09-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter. Embo Rep., 16, 2015
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4I6Z
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![BU of 4i6z by Molmil](/molmil-images/mine/4i6z) | Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide | Descriptor: | DNA OLIGONUCLEOTIDE, Transcriptional regulator, TetR family | Authors: | Koclega, K.D, Chruszcz, M, Cooper, D.R, Petkowski, J.J, Tkaczuk, K.L, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-11-30 | Release date: | 2013-01-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide To be Published
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3CP1
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![BU of 3cp1 by Molmil](/molmil-images/mine/3cp1) | |
1YD2
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![BU of 1yd2 by Molmil](/molmil-images/mine/1yd2) | Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima: Point mutant Y19F bound to the catalytic divalent cation | Descriptor: | GLYCEROL, MANGANESE (II) ION, UvrABC system protein C | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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3CPM
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![BU of 3cpm by Molmil](/molmil-images/mine/3cpm) | plant peptide deformylase PDF1B crystal structure | Descriptor: | Peptide deformylase, chloroplast, SULFATE ION, ... | Authors: | Rodgers, D.W, Houtz, R.L, Dirk, L.M.A, Schmidt, J.J, Cai, Y. | Deposit date: | 2008-03-31 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights into the substrate specificity of plant peptide deformylase, an essential enzyme with potential for the development of novel biotechnology applications in agriculture Biochem.J., 413, 2008
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4XCG
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![BU of 4xcg by Molmil](/molmil-images/mine/4xcg) | Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form I | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Thermosome subunit alpha, Thermosome subunit beta | Authors: | Stewart, A.G, Smits, C, Chaston, J.J, Stock, D. | Deposit date: | 2014-12-18 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.737 Å) | Cite: | Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins. Structure, 24, 2016
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3RR3
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![BU of 3rr3 by Molmil](/molmil-images/mine/3rr3) | Structure of (R)-flurbiprofen bound to mCOX-2 | Descriptor: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J. | Deposit date: | 2011-04-28 | Release date: | 2011-11-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.842 Å) | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Nat.Chem.Biol., 7, 2011
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3D4U
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![BU of 3d4u by Molmil](/molmil-images/mine/3d4u) | Bovine thrombin-activatable fibrinolysis inhibitor (TAFIa) in complex with tick-derived carboxypeptidase inhibitor. | Descriptor: | ACETATE ION, Carboxypeptidase B2, Carboxypeptidase inhibitor, ... | Authors: | Sanglas, L, Valnickova, Z, Arolas, J.L, Pallares, I, Guevara, T, Sola, M, Kristensen, T, Enghild, J.J, Aviles, F.X, Gomis-Ruth, F.X. | Deposit date: | 2008-05-15 | Release date: | 2008-08-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of activated thrombin-activatable fibrinolysis inhibitor, a molecular link between coagulation and fibrinolysis. Mol.Cell, 31, 2008
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3DKS
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![BU of 3dks by Molmil](/molmil-images/mine/3dks) | DsbA substrate complex | Descriptor: | Thiol:disulfide interchange protein dsbA, siga peptide | Authors: | Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J. | Deposit date: | 2008-06-25 | Release date: | 2009-05-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes J.Biol.Chem., 284, 2009
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