4FAR
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![BU of 4far by Molmil](/molmil-images/mine/4far) | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+ and 5'-exon | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, MAGNESIUM ION, ... | Authors: | Marcia, M, Pyle, A.M. | Deposit date: | 2012-05-22 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Visualizing Group II Intron Catalysis through the Stages of Splicing. Cell(Cambridge,Mass.), 151, 2012
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3UTD
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![BU of 3utd by Molmil](/molmil-images/mine/3utd) | Ec_IspH in complex with 4-oxopentyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | Deposit date: | 2011-11-25 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
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3UC7
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![BU of 3uc7 by Molmil](/molmil-images/mine/3uc7) | Trp-cage cyclo-TC1 - monoclinic crystal form | Descriptor: | CHLORIDE ION, Cyclo-TC1 | Authors: | Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H. | Deposit date: | 2011-10-26 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction. Proc.Natl.Acad.Sci.USA, 109, 2012
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4FIA
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![BU of 4fia by Molmil](/molmil-images/mine/4fia) | Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound | Descriptor: | Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Stout, C.D, Pikuleva, I.A, Mast, N. | Deposit date: | 2012-06-08 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response. J.Biol.Chem., 288, 2013
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4FBO
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3UTQ
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![BU of 3utq by Molmil](/molmil-images/mine/3utq) | Human HLA-A*0201-ALWGPDPAAA | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M. | Deposit date: | 2011-11-26 | Release date: | 2012-01-25 | Last modified: | 2012-03-07 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes. Nat.Immunol., 13, 2012
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3UC9
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3UTZ
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![BU of 3utz by Molmil](/molmil-images/mine/3utz) | Endogenous-like inhibitory antibodies targeting activated metalloproteinase motifs show therapeutic potential | Descriptor: | Metalloproteinase, heavy chain, light chain, ... | Authors: | Sela-Passwell, N, Kikkeri, R, Dym, O, Rozenberg, H, Margalit, R, Arad-Yellin, R, Eisenstein, M, Brenner, O, Shoham, T, Danon, T, Shanzer, A, Sagi, I, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-11-27 | Release date: | 2011-12-14 | Last modified: | 2017-03-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Antibodies targeting the catalytic zinc complex of activated matrix metalloproteinases show therapeutic potential. NAT.MED. (N.Y.), 18, 2012
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4FIM
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![BU of 4fim by Molmil](/molmil-images/mine/4fim) | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 A Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, C-terminal peptide from Lactotransferrin, ... | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-06-09 | Release date: | 2012-06-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with celecoxib acid at 1.80 A Resolution To be Published
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4FD8
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![BU of 4fd8 by Molmil](/molmil-images/mine/4fd8) | Structure of apo S70C SHV beta-lactamase | Descriptor: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Rodkey, E.A, van den Akker, F. | Deposit date: | 2012-05-26 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
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3UD7
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![BU of 3ud7 by Molmil](/molmil-images/mine/3ud7) | Crystal Structure Analysis of FGF1-Disaccharide(NI21) complexes | Descriptor: | 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, PHOSPHATE ION | Authors: | Hung, S.-C, Shi, Z. | Deposit date: | 2011-10-27 | Release date: | 2012-11-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Divergent synthesis of 48 heparan sulfate-based disaccharides and probing the specific sugar-fibroblast growth factor-1 interaction J.Am.Chem.Soc., 134, 2012
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6XBR
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![BU of 6xbr by Molmil](/molmil-images/mine/6xbr) | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43L) in complex with 2-nitronate-propionyl-CoA | Descriptor: | AMMONIUM ION, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | Deposit date: | 2020-06-07 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43L) in complex with 2-nitronate-propionyl-CoA To Be Published
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4FJ0
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![BU of 4fj0 by Molmil](/molmil-images/mine/4fj0) | Crystal structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and 3,7-dihydroxy flavone | Descriptor: | 1,2-ETHANEDIOL, 17beta-hydroxysteroid dehydrogenase, 3,7-dihydroxy-2-phenyl-4H-chromen-4-one, ... | Authors: | Cassetta, A, Lamba, D, Krastanova, I. | Deposit date: | 2012-06-11 | Release date: | 2013-07-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl. J. Steroid Biochem. Mol. Biol., 171, 2017
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2D06
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![BU of 2d06 by Molmil](/molmil-images/mine/2d06) | Human Sult1A1 Complexed With Pap and estradiol | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, ESTRADIOL, Sulfotransferase 1A1 | Authors: | Gamage, N.U, Tsvetanov, S, Duggleby, R.G, McManus, M.E, Martin, J.L. | Deposit date: | 2005-07-25 | Release date: | 2005-10-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of human SULT1A1 crystallized with estradiol. An insight into active site plasticity and substrate inhibition with multi-ring substrates J.Biol.Chem., 280, 2005
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3UDH
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![BU of 3udh by Molmil](/molmil-images/mine/3udh) | Crystal Structure of BACE with Compound 1 | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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6XBV
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![BU of 6xbv by Molmil](/molmil-images/mine/6xbv) | Streptomyces coelicolor methylmalonyl-CoA epimerase (S115T) in complex with 2-nitronate-propionyl-CoA | Descriptor: | CHLORIDE ION, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | Deposit date: | 2020-06-07 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (S115T) in complex with 2-nitronate-propionyl-CoA To Be Published
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7A43
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4FED
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![BU of 4fed by Molmil](/molmil-images/mine/4fed) | Crystal Structure of Htt36Q3H | Descriptor: | CALCIUM ION, Maltose-binding periplasmic protein,Huntingtin, ZINC ION | Authors: | Kim, M. | Deposit date: | 2012-05-30 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Beta conformation of polyglutamine track revealed by a crystal structure of Huntingtin N-terminal region with insertion of three histidine residues. Prion, 7, 2013
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4FR5
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![BU of 4fr5 by Molmil](/molmil-images/mine/4fr5) | Crystal Structure of Shikimate Dehydrogenase (aroE) Y210S Mutant from Helicobacter pylori in Complex with Shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase | Authors: | Cheng, W.C, Chen, T.J, Wang, W.C. | Deposit date: | 2012-06-26 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: |
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6XSE
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![BU of 6xse by Molmil](/molmil-images/mine/6xse) | |
3UYC
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![BU of 3uyc by Molmil](/molmil-images/mine/3uyc) | Designed protein KE59 R8_2/7A | Descriptor: | Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UE2
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![BU of 3ue2 by Molmil](/molmil-images/mine/3ue2) | |
4FG9
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![BU of 4fg9 by Molmil](/molmil-images/mine/4fg9) | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-320 in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | Deposit date: | 2012-06-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI. Plos One, 7, 2012
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1HR8
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![BU of 1hr8 by Molmil](/molmil-images/mine/1hr8) | Yeast Mitochondrial Processing Peptidase beta-E73Q Mutant Complexed with Cytochrome C Oxidase IV Signal Peptide | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYTOCHROME C OXIDASE POLYPEPTIDE IV, MITOCHONDRIAL PROCESSING PEPTIDASE ALPHA SUBUNIT, ... | Authors: | Taylor, A.B, Smith, B.S, Kitada, S, Kojima, K, Miyaura, H, Otwinowski, Z, Ito, A, Deisenhofer, J. | Deposit date: | 2000-12-21 | Release date: | 2001-07-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of mitochondrial processing peptidase reveal the mode for specific cleavage of import signal sequences. Structure, 9, 2001
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4FRO
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![BU of 4fro by Molmil](/molmil-images/mine/4fro) | Crystal Structure of BBBB+UDP+Gal at pH 9.0 with MPD as the cryoprotectant | Descriptor: | GLYCINE, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. | Deposit date: | 2012-06-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
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