7YXO
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![BU of 7yxo by Molmil](/molmil-images/mine/7yxo) | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ... | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | Deposit date: | 2022-02-16 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
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6PE0
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![BU of 6pe0 by Molmil](/molmil-images/mine/6pe0) | Msp1 (E214Q)-substrate complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Membrane-spanning ATPase-like protein, ... | Authors: | Wang, L, Myasnikov, A, Pan, X, Walter, P. | Deposit date: | 2019-06-19 | Release date: | 2020-02-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of the AAA protein Msp1 reveals mechanism of mislocalized membrane protein extraction. Elife, 9, 2020
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7YXN
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![BU of 7yxn by Molmil](/molmil-images/mine/7yxn) | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | Descriptor: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | Deposit date: | 2022-02-16 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
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6P3E
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![BU of 6p3e by Molmil](/molmil-images/mine/6p3e) | Mobile loops and electrostatic interactions maintain the flexible lambda tail tube | Descriptor: | Tail tube protein | Authors: | Campbell, P, Duda, R.L, Nassur, J, Hendrix, R.W, Conway, J.F, Huet, A. | Deposit date: | 2019-05-23 | Release date: | 2019-11-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Mobile Loops and Electrostatic Interactions Maintain the Flexible Tail Tube of Bacteriophage Lambda. J.Mol.Biol., 432, 2020
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6P53
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![BU of 6p53 by Molmil](/molmil-images/mine/6p53) | |
6PJI
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![BU of 6pji by Molmil](/molmil-images/mine/6pji) | HIV-1 Protease NL4-3 WT in Complex with LR3-43 | Descriptor: | Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopropyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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1BC6
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![BU of 1bc6 by Molmil](/molmil-images/mine/1bc6) | 7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, 20 STRUCTURES | Descriptor: | 7-FE FERREDOXIN, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | Authors: | Aono, S, Bentrop, D, Bertini, I, Donaire, A, Luchinat, C, Niikura, Y, Rosato, A. | Deposit date: | 1998-05-05 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the oxidized Fe7S8 ferredoxin from the thermophilic bacterium Bacillus schlegelii by 1H NMR spectroscopy. Biochemistry, 37, 1998
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1F6F
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![BU of 1f6f by Molmil](/molmil-images/mine/1f6f) | CRYSTAL STRUCTURE OF THE TERNARY COMPLEX BETWEEN OVINE PLACENTAL LACTOGEN AND THE EXTRACELLULAR DOMAIN OF THE RAT PROLACTIN RECEPTOR | Descriptor: | PLACENTAL LACTOGEN, PROLACTIN RECEPTOR | Authors: | Elkins, P.A, Christinger, H.W, Sandowski, Y, Sakal, E, Gertler, A, De Vos, A.M, Kossiakoff, A.A. | Deposit date: | 2000-06-21 | Release date: | 2000-07-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ternary complex between placental lactogen and the extracellular domain of the prolactin receptor. Nat.Struct.Biol., 7, 2000
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6PKY
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![BU of 6pky by Molmil](/molmil-images/mine/6pky) | Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2019-06-30 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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4Y3A
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![BU of 4y3a by Molmil](/molmil-images/mine/4y3a) | Endothiapepsin in complex with fragment 181 | Descriptor: | 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library To Be Published
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2ROY
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![BU of 2roy by Molmil](/molmil-images/mine/2roy) | TRANSTHYRETIN (ALSO CALLED PREALBUMIN) COMPLEX WITH 3',5'-DINITRO-N-ACETYL-L-THYRONINE | Descriptor: | 3',5'-DINITRO-N-ACETYL-L-THYRONINE, TRANSTHYRETIN | Authors: | Wojtczak, A, Cody, V, Luft, J.R, Pangborn, W. | Deposit date: | 1996-10-23 | Release date: | 1997-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of human transthyretin complexed with thyroxine at 2.0 A resolution and 3',5'-dinitro-N-acetyl-L-thyronine at 2.2 A resolution. Acta Crystallogr.,Sect.D, 52, 1996
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6PAC
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6PBF
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![BU of 6pbf by Molmil](/molmil-images/mine/6pbf) | ZINC9155420-bound TRPV5 in nanodiscs | Descriptor: | (1S)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2S)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetate, Transient receptor potential cation channel subfamily V member 5 | Authors: | Hughes, T.E.T, Rosario, J.S.D, Kapoor, A, Yazici, A.T, Fluck, E.C, Filizola, M, Rohacs, T, Moiseenkova-Bell, V.Y. | Deposit date: | 2019-06-13 | Release date: | 2019-11-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structure-based characterization of novel TRPV5 inhibitors. Elife, 8, 2019
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4PG9
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![BU of 4pg9 by Molmil](/molmil-images/mine/4pg9) | MHC Class I in complex with Sendai virus nucleoprotein peptide FAPGNYPAL | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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6P2O
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![BU of 6p2o by Molmil](/molmil-images/mine/6p2o) | Crystal structure of Streptomyces rapamycinicus GH74 in complex with xyloglucan fragments XLLG and XXXG | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A. | Deposit date: | 2019-05-21 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
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4PGE
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![BU of 4pge by Molmil](/molmil-images/mine/4pge) | MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAW | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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6P3T
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![BU of 6p3t by Molmil](/molmil-images/mine/6p3t) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT449 | Descriptor: | AMMONIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2019-05-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
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1F6N
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![BU of 1f6n by Molmil](/molmil-images/mine/1f6n) | CRYSTAL STRUCTURE ANALYSIS OF THE MUTANT REACTION CENTER PRO L209-> TYR FROM THE PHOTOSYNTHETIC PURPLE BACTERIUM RHODOBACTER SPHAEROIDES | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | Authors: | Kuglstatter, A, Ermler, U, Michel, H, Baciou, L, Fritzsch, G. | Deposit date: | 2000-06-22 | Release date: | 2001-04-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray structure analyses of photosynthetic reaction center variants from Rhodobacter sphaeroides: structural changes induced by point mutations at position L209 modulate electron and proton transfer. Biochemistry, 40, 2001
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7Z6U
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![BU of 7z6u by Molmil](/molmil-images/mine/7z6u) | Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | Descriptor: | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2022-03-14 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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6UJV
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![BU of 6ujv by Molmil](/molmil-images/mine/6ujv) | Model of the HIV-1 gp41 membrane-proximal external region, transmembrane domain and cytoplasmic tail (LLP2) | Descriptor: | Envelope glycoprotein GP41 | Authors: | Piai, A, Fu, Q, Cai, Y, Ghantous, F, Xiao, T, Shaik, M.M, Peng, H, Rits-Volloch, S, Liu, Z, Chen, W, Seaman, M.S, Chen, B, Chou, J.J. | Deposit date: | 2019-10-03 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis of transmembrane coupling of the HIV-1 envelope glycoprotein. Nat Commun, 11, 2020
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2GN5
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2RHD
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![BU of 2rhd by Molmil](/molmil-images/mine/2rhd) | Crystal structure of Cryptosporidium parvum small GTPase RAB1A | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Small GTP binding protein rab1a | Authors: | Dong, A, Xu, X, Lew, J, Lin, Y.H, Khuu, C, Sun, X, Qiu, W, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-09 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structure of Cryptosporidium parvum small GTPase RAB1A. To be Published
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4PGD
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![BU of 4pgd by Molmil](/molmil-images/mine/4pgd) | MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAF | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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6PA3
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6PJK
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![BU of 6pjk by Molmil](/molmil-images/mine/6pjk) | HIV-1 Protease NL4-3 WT in Complex with LR3-29 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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