2ARC
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3U87
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![BU of 3u87 by Molmil](/molmil-images/mine/3u87) | Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue | Descriptor: | CHLORIDE ION, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Raaf, J, Issinger, O.-G, Olsen, B. | Deposit date: | 2011-10-16 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias. Acta Crystallogr.,Sect.D, 68, 2012
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5QJ0
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5FII
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![BU of 5fii by Molmil](/molmil-images/mine/5fii) | Structure of a human aspartate kinase, chorismate mutase and TyrA domain. | Descriptor: | PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE | Authors: | Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2015-09-25 | Release date: | 2016-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain. Sci.Rep., 6, 2016
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7X7X
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![BU of 7x7x by Molmil](/molmil-images/mine/7x7x) | Human serum albumin complex with deschloro-aripiprazole | Descriptor: | 7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one, PHOSPHATE ION, Serum albumin | Authors: | Kawai, A, Otagiri, M. | Deposit date: | 2022-03-10 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chlorine Atoms of an Aripiprazole Molecule Control the Geometry and Motion of Aripiprazole and Deschloro-aripiprazole in Subdomain IIIA of Human Serum Albumin. Acs Omega, 7, 2022
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2CUP
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![BU of 2cup by Molmil](/molmil-images/mine/2cup) | Solution structure of the Skeletal muscle LIM-protein 1 | Descriptor: | Skeletal muscle LIM-protein 1, ZINC ION | Authors: | Niraula, T.N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-27 | Release date: | 2005-11-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the Skeletal muscle LIM-protein 1 To be Published
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6CK5
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![BU of 6ck5 by Molmil](/molmil-images/mine/6ck5) | PRPP riboswitch from T. mathranii bound to PRPP | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BARIUM ION, MAGNESIUM ION, ... | Authors: | Knappenberger, A.J, Reiss, C.W, Strobel, S.A. | Deposit date: | 2018-02-27 | Release date: | 2018-06-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structures of two aptamers with differing ligand specificity reveal ruggedness in the functional landscape of RNA. Elife, 7, 2018
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3QLX
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![BU of 3qlx by Molmil](/molmil-images/mine/3qlx) | Candida glabrata dihydrofolate reductase complexed with NADPH and 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine (UCP112A) | Descriptor: | 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Paulsen, J.L, Bendel, S.D, Anderson, A.C. | Deposit date: | 2011-02-03 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.239 Å) | Cite: | Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity. Chem.Biol.Drug Des., 78, 2011
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3QLS
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![BU of 3qls by Molmil](/molmil-images/mine/3qls) | Candida albicans dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP115A) | Descriptor: | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine, GLYCEROL, GLYCINE, ... | Authors: | Paulsen, J.L, Bendel, S.D, Anderson, A.C. | Deposit date: | 2011-02-03 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity. Chem.Biol.Drug Des., 78, 2011
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1R8T
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![BU of 1r8t by Molmil](/molmil-images/mine/1r8t) | Solution structures of high affinity miniprotein ligands to Streptavidin | Descriptor: | MP1 | Authors: | Luo, J, Mukherjee, M, Fan, X, Yang, H, Liu, D, Khan, R, White, M, Fox, R.O. | Deposit date: | 2003-10-28 | Release date: | 2005-02-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structure-based design of high affinity miniprotein ligands To be Published
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1Z8O
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![BU of 1z8o by Molmil](/molmil-images/mine/1z8o) | Ferrous dioxygen complex of the wild-type cytochrome P450eryF | Descriptor: | 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ... | Authors: | Nagano, S, Cupp-Vickery, J.R, Poulos, T.L. | Deposit date: | 2005-03-31 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF. J.Biol.Chem., 280, 2005
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2ARA
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1JQQ
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![BU of 1jqq by Molmil](/molmil-images/mine/1jqq) | Crystal structure of Pex13p(301-386) SH3 domain | Descriptor: | PEROXISOMAL MEMBRANE PROTEIN PAS20 | Authors: | Douangamath, A, Mayans, O, Barnett, P, Distel, B, Wilmanns, M. | Deposit date: | 2001-08-08 | Release date: | 2002-12-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Topography for Independent Binding of alpha-Helical and PPII-Helical Ligands to a Peroxisomal SH3 Domain Mol.Cell, 10, 2002
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6CR2
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![BU of 6cr2 by Molmil](/molmil-images/mine/6cr2) | Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | Descriptor: | 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2018-03-16 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis. J. Med. Chem., 61, 2018
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5PZM
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7SHK
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![BU of 7shk by Molmil](/molmil-images/mine/7shk) | Structure of Xenopus laevis CRL2Lrr1 (State 1) | Descriptor: | CULLIN_2 domain-containing protein, Elongin-C, Lrr1, ... | Authors: | Zhou, H, Brown, A. | Deposit date: | 2021-10-09 | Release date: | 2021-12-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of CRL2Lrr1, the E3 ubiquitin ligase that promotes DNA replication termination in vertebrates. Nucleic Acids Res., 49, 2021
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7SHL
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![BU of 7shl by Molmil](/molmil-images/mine/7shl) | Structure of Xenopus laevis CRL2Lrr1 (State 2) | Descriptor: | CULLIN_2 domain-containing protein, Elongin-C, Lrr1, ... | Authors: | Zhou, H, Brown, A. | Deposit date: | 2021-10-09 | Release date: | 2021-12-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of CRL2Lrr1, the E3 ubiquitin ligase that promotes DNA replication termination in vertebrates. Nucleic Acids Res., 49, 2021
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8VEV
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1XCA
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![BU of 1xca by Molmil](/molmil-images/mine/1xca) | APO-CELLULAR RETINOIC ACID BINDING PROTEIN II | Descriptor: | CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II | Authors: | Chen, X, Ji, X. | Deposit date: | 1996-12-31 | Release date: | 1998-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of apo-cellular retinoic acid-binding protein type II (R111M) suggests a mechanism of ligand entry. J.Mol.Biol., 278, 1998
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2O4J
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![BU of 2o4j by Molmil](/molmil-images/mine/2o4j) | Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20Z and the NR2 Box of DRIP 205 | Descriptor: | (1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, DeLuca, H.F. | Deposit date: | 2006-12-04 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations. Arch.Biochem.Biophys., 460, 2007
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2O4R
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![BU of 2o4r by Molmil](/molmil-images/mine/2o4r) | Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20E and the NR2 Box of DRIP 205 | Descriptor: | (1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, DeLuca, H.F. | Deposit date: | 2006-12-04 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations. Arch.Biochem.Biophys., 460, 2007
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1YH2
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![BU of 1yh2 by Molmil](/molmil-images/mine/1yh2) | Ubiquitin-Conjugating Enzyme HSPC150 | Descriptor: | HSPC150 protein similar to ubiquitin-conjugating enzyme | Authors: | Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-01-06 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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5JQ1
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1DCD
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![BU of 1dcd by Molmil](/molmil-images/mine/1dcd) | DESULFOREDOXIN COMPLEXED WITH CD2+ | Descriptor: | CADMIUM ION, PROTEIN (DESULFOREDOXIN) | Authors: | Archer, M, Carvalho, A.L, Teixeira, S, Romao, M.J. | Deposit date: | 1999-03-20 | Release date: | 1999-07-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies by X-ray diffraction on metal substituted desulforedoxin, a rubredoxin-type protein. Protein Sci., 8, 1999
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6X2J
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![BU of 6x2j by Molmil](/molmil-images/mine/6x2j) | Structure of human TRPA1 in complex with agonist GNE551 | Descriptor: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L, Chen, H. | Deposit date: | 2020-05-20 | Release date: | 2020-11-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel. Neuron, 109, 2021
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