4DQ3
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![BU of 4dq3 by Molmil](/molmil-images/mine/4dq3) | Bovine beta-lactoglobulin complex with oleic acid | Descriptor: | Beta-lactoglobulin, ETHANOL, GLYCEROL, ... | Authors: | Loch, J.I, Lewinski, K. | Deposit date: | 2012-02-15 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies. Int.J.Biol.Macromol., 57, 2013
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4MKR
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![BU of 4mkr by Molmil](/molmil-images/mine/4mkr) | Structure of the apo form of a Zingiber officinale double bond reductase | Descriptor: | Zingiber officinale double bond reductase | Authors: | Buratto, J, Langlois d'Estaintot, B, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R. | Deposit date: | 2013-09-05 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure of Zingiber officinale double bond reductase To be Published
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5U47
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![BU of 5u47 by Molmil](/molmil-images/mine/5u47) | 1.95 Angstrom Resolution Crystal Structure of Penicillin Binding Protein 2X from Streptococcus thermophilus | Descriptor: | ACETATE ION, CHLORIDE ION, Penicillin binding protein 2X | Authors: | Minasov, G, Shuvalova, L, Cardona-Correa, A, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-12-03 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Resolution Crystal Structure of Penicillin Binding Protein 2X from Streptococcus thermophilus. To Be Published
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4DCZ
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![BU of 4dcz by Molmil](/molmil-images/mine/4dcz) | |
4DGV
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![BU of 4dgv by Molmil](/molmil-images/mine/4dgv) | Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody HCV1, P2(1) form | Descriptor: | E2 peptide, HCV1 Heavy Chain, HCV1 Light Chain, ... | Authors: | Kong, L, Wilson, I.A, Law, M. | Deposit date: | 2012-01-26 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Structural basis of hepatitis C virus neutralization by broadly neutralizing antibody HCV1. Proc.Natl.Acad.Sci.USA, 109, 2012
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3SE2
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![BU of 3se2 by Molmil](/molmil-images/mine/3se2) | Human poly(ADP-ribose) polymerase 14 (PARP14/ARTD8) - catalytic domain in complex with 6(5H)-phenanthridinone | Descriptor: | 3-aminobenzamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Siponen, M.I, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-10 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. Nat.Biotechnol., 30, 2012
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4N1Q
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4MV0
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![BU of 4mv0 by Molmil](/molmil-images/mine/4mv0) | IspH in complex with pyridin-2-ylmethyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-2-ylmethyl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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4EWE
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![BU of 4ewe by Molmil](/molmil-images/mine/4ewe) | Study on structure and function relationships in human Pirin with Manganese ion | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Pirin | Authors: | Liu, F, Rehmani, I, Fu, R, Esaka, S, Chen, L, Serrano, V, Liu, A. | Deposit date: | 2012-04-26 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
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5UJS
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![BU of 5ujs by Molmil](/molmil-images/mine/5ujs) | 2.45 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Campylobacter jejuni. | Descriptor: | CHLORIDE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Stam, J, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-01-18 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | 2.45 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Campylobacter jejuni. To Be Published
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5UKP
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![BU of 5ukp by Molmil](/molmil-images/mine/5ukp) | Structure of unliganded anti-gp120 CD4bs antibody DH522.1 Fab | Descriptor: | DH522.1 Fab fragment heavy chain, DH522.1 Fab fragment light chain | Authors: | Nicely, N.I. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations. Nat Commun, 8, 2017
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4MZI
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![BU of 4mzi by Molmil](/molmil-images/mine/4mzi) | Crystal structure of a human mutant p53 | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Emamzadah, S, Tropia, L, Vincenti, I, Falquet, B, Halazonetis, T.D. | Deposit date: | 2013-09-30 | Release date: | 2014-01-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Reversal of the DNA-Binding-Induced Loop L1 Conformational Switch in an Engineered Human p53 Protein. J.Mol.Biol., 426, 2014
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5UKN
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![BU of 5ukn by Molmil](/molmil-images/mine/5ukn) | Structure of unliganded anti-gp120 CD4bs antibody DH522UCA Fab | Descriptor: | CHLORIDE ION, DH522UCA Fab fragment heavy chain, DH522UCA Fab fragment light chain | Authors: | Nicely, N.I. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations. Nat Commun, 8, 2017
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4N0M
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![BU of 4n0m by Molmil](/molmil-images/mine/4n0m) | Crystal structure of human C53A DJ-1 in complex with Cu | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-10-02 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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4EP1
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![BU of 4ep1 by Molmil](/molmil-images/mine/4ep1) | Crystal structure of anabolic ornithine carbamoyltransferase from Bacillus anthracis | Descriptor: | Ornithine carbamoyltransferase | Authors: | Shabalin, I.G, Mikolajczak, K, Stam, J, Winsor, J, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-04-16 | Release date: | 2012-04-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structures of anabolic ornithine carbamoyltransferase from Bacillus anthracis To be Published
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4EJ4
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![BU of 4ej4 by Molmil](/molmil-images/mine/4ej4) | Structure of the delta opioid receptor bound to naltrindole | Descriptor: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, Delta-type opioid receptor, Lysozyme chimera | Authors: | Granier, S, Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Weis, W.I, Kobilka, B.K. | Deposit date: | 2012-04-06 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of the delta opioid receptor bound to naltrindole Nature, 485, 2012
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3RKZ
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![BU of 3rkz by Molmil](/molmil-images/mine/3rkz) | Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model. | Descriptor: | (5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Zapf, C.W, Bloom, J.D, Li, Z, Dushin, R.G, Nittoli, T, Otteng, M, Nikitenko, A, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Olland, A, Johnson, M, Levin, J.I. | Deposit date: | 2011-04-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5693 Å) | Cite: | Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model. Bioorg.Med.Chem.Lett., 21, 2011
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4MR6
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![BU of 4mr6 by Molmil](/molmil-images/mine/4mr6) | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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4MTC
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![BU of 4mtc by Molmil](/molmil-images/mine/4mtc) | Crystal structure of human C53A DJ-1 | Descriptor: | 1,2-ETHANEDIOL, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-09-19 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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4MV5
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![BU of 4mv5 by Molmil](/molmil-images/mine/4mv5) | IspH in complex with 6-chloropyridin-3-ylmethyl diphosphate | Descriptor: | (6-chloropyridin-3-yl)methyl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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4MXF
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![BU of 4mxf by Molmil](/molmil-images/mine/4mxf) | |
5T39
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![BU of 5t39 by Molmil](/molmil-images/mine/5t39) | Crystal Structure of the N-terminal domain of EvdMO1 in the presence of SAH and D-fucose | Descriptor: | EvdMO1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | McCulloch, K.M, Starbird, C.A, Chen, Q, Perry, N.A, Berndt, S, Yamakawa, I, Loukachevitch, L.V, Iverson, T.M. | Deposit date: | 2016-08-25 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.1004 Å) | Cite: | The Structure of the Bifunctional Everninomicin Biosynthetic Enzyme EvdMO1 Suggests Independent Activity of the Fused Methyltransferase-Oxidase Domains. Biochemistry, 57, 2018
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4E1P
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![BU of 4e1p by Molmil](/molmil-images/mine/4e1p) | |
4N1N
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![BU of 4n1n by Molmil](/molmil-images/mine/4n1n) | |
4N7B
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![BU of 4n7b by Molmil](/molmil-images/mine/4n7b) | Structure of the E-1-hydroxy-2-methyl-but-2-enyl-4-diphosphate reductase from Plasmodium falciparum | Descriptor: | FE3-S4 CLUSTER, GLYCEROL, LytB, ... | Authors: | Rekittke, I, Jomaa, H, Ermler, U. | Deposit date: | 2013-10-15 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structure of the (E)-4-hydroxy-3-methyl-but-2-enyl-diphosphate reductase from Plasmodium falciparum. Febs Lett., 587, 2013
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