1G9K
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1G75
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![BU of 1g75 by Molmil](/molmil-images/mine/1g75) | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG): 5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3', MAGNESIUM ION, POTASSIUM ION | Authors: | Tsunoda, M, Karino, N, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 2000-11-09 | Release date: | 2001-02-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallization and preliminary X-ray analysis of a DNA dodecamer containing 2'-deoxy-5-formyluridine; what is the role of magnesium cation in crystallization of Dickerson-type DNA dodecamers? Acta Crystallogr.,Sect.D, 57, 2001
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5TGZ
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![BU of 5tgz by Molmil](/molmil-images/mine/5tgz) | Crystal Structure of the Human Cannabinoid Receptor CB1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ... | Authors: | Hua, T, Vemuri, K, Pu, M, Qu, L, Han, G.W, Wu, Y, Zhao, S, Shui, W, Li, S, Korde, A, Laprairie, R.B, Stahl, E.L, Ho, J.H, Zvonok, N, Zhou, H, Kufareva, I, Wu, B, Zhao, Q, Hanson, M.A, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | Deposit date: | 2016-09-28 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Human Cannabinoid Receptor CB1. Cell, 167, 2016
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2QOM
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![BU of 2qom by Molmil](/molmil-images/mine/2qom) | The crystal structure of the E.coli EspP autotransporter Beta-domain. | Descriptor: | Serine protease espP | Authors: | Barnard, T.J, Dautin, N, Lukacik, P, Bernstein, H.D, Buchanan, S.K. | Deposit date: | 2007-07-20 | Release date: | 2007-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Autotransporter structure reveals intra-barrel cleavage followed by conformational changes. Nat.Struct.Mol.Biol., 14, 2007
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5T6G
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![BU of 5t6g by Molmil](/molmil-images/mine/5t6g) | 2.45 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7m (hexagonal form) | Descriptor: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide, Genome polyprotein | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C. | Deposit date: | 2016-09-01 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors. Eur J Med Chem, 126, 2016
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1GCJ
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![BU of 1gcj by Molmil](/molmil-images/mine/1gcj) | N-TERMINAL FRAGMENT OF IMPORTIN-BETA | Descriptor: | IMPORTIN BETA | Authors: | Lee, S.J, Imamoto, N, Sakai, H, Nakagawa, A, Kose, S, Koike, M, Yamamoto, M, Kumasaka, T, Yoneda, Y, Tsukihara, T. | Deposit date: | 2000-07-31 | Release date: | 2000-10-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The adoption of a twisted structure of importin-beta is essential for the protein-protein interaction required for nuclear transport. J.Mol.Biol., 302, 2000
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2R15
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1GJG
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![BU of 1gjg by Molmil](/molmil-images/mine/1gjg) | Peptide Antagonist of IGFBP1, (i,i+8) Covalently Restrained Analog, Minimized Average Structure | Descriptor: | IGFBP-1 antagonist, PENTANE | Authors: | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | Deposit date: | 2001-05-11 | Release date: | 2001-05-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1. Biochemistry, 40, 2001
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1GKL
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![BU of 1gkl by Molmil](/molmil-images/mine/1gkl) | S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with ferulic acid | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ACETATE ION, CADMIUM ION, ... | Authors: | Prates, J.A.M, Tarbouriech, N, Charnock, S.J, Fontes, C.M.G.A, Ferreira, L.M.A, Davies, G.J. | Deposit date: | 2001-08-15 | Release date: | 2001-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The structure of the feruloyl esterase module of xylanase 10B from Clostridium thermocellum provides insights into substrate recognition. Structure, 9, 2001
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2VAD
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![BU of 2vad by Molmil](/molmil-images/mine/2vad) | Monomeric red fluorescent protein, DsRed.M1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, RED FLUORESCENT PROTEIN, ... | Authors: | Strongin, D.E, Bevis, B, Khuong, N, Downing, M.E, Strack, R.L, Sundaram, K, Glick, B.S, Keenan, R.J. | Deposit date: | 2007-08-30 | Release date: | 2007-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Rearrangements Near the Chromophore Influence the Maturation Speed and Brightness of Dsred Variants. Protein Eng.Des.Sel., 20, 2007
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2V17
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![BU of 2v17 by Molmil](/molmil-images/mine/2v17) | Structure of the complex of antibody MN423 with a fragment of tau protein | Descriptor: | MONOCLONAL ANTIBODY FAB FRAGMENT MN423, PEPTIDE FRAGMENT | Authors: | Sevcik, J, Skrabana, R, Csokova, N, Dvorsky, R, Novak, M. | Deposit date: | 2007-05-22 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-Ray Structure of the Phf Core C-Terminus: Insight Into the Folding of the Intrinsically Disordered Protein Tau in Alzheimer'S Disease. FEBS Lett., 581, 2007
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1G19
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![BU of 1g19 by Molmil](/molmil-images/mine/1g19) | STRUCTURE OF RECA PROTEIN | Descriptor: | PHOSPHATE ION, RECA PROTEIN | Authors: | Datta, S, Prabu, M.M, Vaze, M.B, Ganesh, N, Chandra, N.R, Muniyappa, K, Vijayan, M, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2000-10-11 | Release date: | 2000-12-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of Mycobacterium tuberculosis RecA and its complex with ADP-AlF(4): implications for decreased ATPase activity and molecular aggregation Nucleic Acids Res., 28, 2000
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1G65
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![BU of 1g65 by Molmil](/molmil-images/mine/1g65) | Crystal structure of epoxomicin:20s proteasome reveals a molecular basis for selectivity of alpha,beta-epoxyketone proteasome inhibitors | Descriptor: | EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, Proteasome component C1, ... | Authors: | Groll, M, Kim, K.B, Kairies, N, Huber, R, Crews, C. | Deposit date: | 2000-11-03 | Release date: | 2000-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of Epoxomicin:20S Proteasome reveals a molecular basis for selectivity of alpha,beta-Epoxyketone Proteasome Inhibitors J.Am.Chem.Soc., 122, 2000
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2V2S
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1G2N
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![BU of 1g2n by Molmil](/molmil-images/mine/1g2n) | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF THE ULTRASPIRACLE PROTEIN USP, THE ORTHOLOG OF RXRS IN INSECTS | Descriptor: | L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, ULTRASPIRACLE PROTEIN | Authors: | Billas, I.M.L, Moulinier, L, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2000-10-20 | Release date: | 2001-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the ligand-binding domain of the ultraspiracle protein USP, the ortholog of retinoid X receptors in insects. J.Biol.Chem., 276, 2001
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5VKG
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![BU of 5vkg by Molmil](/molmil-images/mine/5vkg) | Solution-state NMR structural ensemble of human Tsg101 UEV in complex with tenatoprazole | Descriptor: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium, Tumor susceptibility gene 101 protein | Authors: | Strickland, M, Ehrlich, L.S, Watanabe, S, Khan, M, Strub, M.-P, Luan, C.H, Powell, M.D, Leis, J, Tjandra, N, Carter, C. | Deposit date: | 2017-04-21 | Release date: | 2017-11-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Tsg101 chaperone function revealed by HIV-1 assembly inhibitors. Nat Commun, 8, 2017
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2V2O
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2V65
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![BU of 2v65 by Molmil](/molmil-images/mine/2v65) | Apo LDH from the psychrophile C. gunnari | Descriptor: | L-LACTATE DEHYDROGENASE A CHAIN | Authors: | Coquelle, N, Madern, D, Vellieux, F. | Deposit date: | 2007-07-13 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Activity, Stability and Structural Studies of Lactate Dehydrogenases Adapted to Extreme Thermal Environments. J.Mol.Biol., 374, 2007
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1G6H
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![BU of 1g6h by Molmil](/molmil-images/mine/1g6h) | CRYSTAL STRUCTURE OF THE ADP CONFORMATION OF MJ1267, AN ATP-BINDING CASSETTE OF AN ABC TRANSPORTER | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HIGH-AFFINITY BRANCHED-CHAIN AMINO ACID TRANSPORT ATP-BINDING PROTEIN, MAGNESIUM ION, ... | Authors: | Yuan, Y.-R, Martsinkevich, O, Karpowich, N, Millen, L, Thomas, P.J, Hunt, J.F. | Deposit date: | 2000-11-06 | Release date: | 2001-07-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of the MJ1267 ATP binding cassette reveal an induced-fit effect at the ATPase active site of an ABC transporter. Structure, 9, 2001
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1GA2
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![BU of 1ga2 by Molmil](/molmil-images/mine/1ga2) | THE CRYSTAL STRUCTURE OF ENDOGLUCANASE 9G FROM CLOSTRIDIUM CELLULOLYTICUM COMPLEXED WITH CELLOBIOSE | Descriptor: | ACETIC ACID, CALCIUM ION, ENDOGLUCANASE 9G, ... | Authors: | Mandelman, D, Belaich, A, Belaich, J.P, Aghajari, N, Driguez, H, Haser, R. | Deposit date: | 2000-11-29 | Release date: | 2003-07-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-Ray Crystal Structure of the Multidomain Endoglucanase Cel9G from Clostridium
cellulolyticum Complexed with Natural and Synthetic Cello-Oligosaccharides J.BACTERIOL., 185, 2003
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2VI9
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![BU of 2vi9 by Molmil](/molmil-images/mine/2vi9) | Crystal structure of S172AbsSHMT Glycine external aldimine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, PHOSPHATE ION, ... | Authors: | Rajaram, V, Bhavani, B.S, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 2007-11-28 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of S172Absshmt and its Complexes To be Published
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2V6M
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![BU of 2v6m by Molmil](/molmil-images/mine/2v6m) | Crystal structure of lactate dehydrogenase from Thermus Thermophilus HB8 (Apo form) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L-LACTATE DEHYDROGENASE | Authors: | Coquelle, N, Fioravanti, E, Weik, M, Vellieux, F. | Deposit date: | 2007-07-19 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Activity, stability and structural studies of lactate dehydrogenases adapted to extreme thermal environments. J. Mol. Biol., 374, 2007
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5WEJ
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![BU of 5wej by Molmil](/molmil-images/mine/5wej) | 1.95 A resolution structure of Norovirus 3CL protease in complex with a dipeptidyl oxazolidinone-based inhibitor | Descriptor: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide, Genome polyprotein | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Rathnayake, A.D, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-10 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease. Eur J Med Chem, 143, 2017
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5WCW
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![BU of 5wcw by Molmil](/molmil-images/mine/5wcw) | Phosphotriesterase variant S3 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | Deposit date: | 2017-07-02 | Release date: | 2019-01-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.457 Å) | Cite: | Phosphotriesterase variant S4 To Be Published
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2VA7
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![BU of 2va7 by Molmil](/molmil-images/mine/2va7) | X-ray crystal structure of beta secretase complexed with compound 27 | Descriptor: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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