3L3K
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![BU of 3l3k by Molmil](/molmil-images/mine/3l3k) | Crystal structure of HLA-B*4402 in complex with the R5A/F7A double mutant of a self-peptide derived from DPA*0201 | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Theodossis, A, Ely, L.K, Rossjohn, J. | Deposit date: | 2009-12-17 | Release date: | 2010-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition Proc.Natl.Acad.Sci.USA, 107, 2010
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4ANC
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![BU of 4anc by Molmil](/molmil-images/mine/4anc) | CRYSTAL FORM I OF THE D93N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A. | Deposit date: | 2012-03-16 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Intersubunit Ionic Interactions Stabilize the Nucleoside Diphosphate Kinase of Mycobacterium Tuberculosis. Plos One, 8, 2013
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4AOZ
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![BU of 4aoz by Molmil](/molmil-images/mine/4aoz) | B. subtilis dUTPase YncF in complex with dU, PPi and Mg (P212121) | Descriptor: | 2'-DEOXYURIDINE, ACETATE ION, CHLORIDE ION, ... | Authors: | Timm, J, Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | Deposit date: | 2012-03-30 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism Acta Crystallogr.,Sect.D, 69, 2013
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4PRN
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![BU of 4prn by Molmil](/molmil-images/mine/4prn) | Crystal structure of a HLA-B*35:01-HPVG-A4 | Descriptor: | ACETATE ION, Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, ... | Authors: | Yu Chih, L, Rossjohn, J, Gras, S. | Deposit date: | 2014-03-06 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism. J.Biol.Chem., 289, 2014
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3LKR
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![BU of 3lkr by Molmil](/molmil-images/mine/3lkr) | Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 2009 H1N1 swine origin strain | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K. | Deposit date: | 2010-01-27 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses. Proc.Natl.Acad.Sci.USA, 107, 2010
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1TVR
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![BU of 1tvr by Molmil](/molmil-images/mine/1tvr) | HIV-1 RT/9-CL TIBO | Descriptor: | 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE | Authors: | Das, K, Ding, J, Hsiou, Y, Arnold, E. | Deposit date: | 1996-04-16 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant. J.Mol.Biol., 264, 1996
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4PT1
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![BU of 4pt1 by Molmil](/molmil-images/mine/4pt1) | |
2W5E
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![BU of 2w5e by Molmil](/molmil-images/mine/2w5e) | Structural and biochemical analysis of human pathogenic astrovirus serine protease at 2.0 Angstrom resolution | Descriptor: | CADMIUM ION, CHLORIDE ION, PUTATIVE SERINE PROTEASE | Authors: | Speroni, S, Rohayem, J, Nenci, S, Bonivento, D, Robel, I, Barthel, J, Coutard, B, Canard, B, Mattevi, A. | Deposit date: | 2008-12-10 | Release date: | 2009-03-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Biochemical Analysis of Human Pathogenic Astrovirus Serine Protease at 2.0 A Resolution. J.Mol.Biol., 387, 2009
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5GPH
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![BU of 5gph by Molmil](/molmil-images/mine/5gph) | |
7KMB
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![BU of 7kmb by Molmil](/molmil-images/mine/7kmb) | ACE2-RBD Focused Refinement Using Symmetry Expansion of Applied C3 for Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-02 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KNH
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![BU of 7knh by Molmil](/molmil-images/mine/7knh) | Cryo-EM Structure of Double ACE2-Bound SARS-CoV-2 Trimer Spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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4PJ0
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![BU of 4pj0 by Molmil](/molmil-images/mine/4pj0) | Structure of T.elongatus Photosystem II, rows of dimers crystal packing | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Hellmich, J, Bommer, M, Burkhardt, A, Ibrahim, M, Kern, J, Meents, A, Mueh, F, Dobbek, H, Zouni, A. | Deposit date: | 2014-05-10 | Release date: | 2014-10-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Native-like Photosystem II Superstructure at 2.44 angstrom Resolution through Detergent Extraction from the Protein Crystal. Structure, 22, 2014
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5CXS
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![BU of 5cxs by Molmil](/molmil-images/mine/5cxs) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Purine nucleoside phosphorylase | Authors: | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2015-07-29 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs. PLoS ONE, 13, 2018
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4PP7
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![BU of 4pp7 by Molmil](/molmil-images/mine/4pp7) | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | Descriptor: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | Deposit date: | 2014-02-26 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 24, 2014
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5G2R
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![BU of 5g2r by Molmil](/molmil-images/mine/5g2r) | Crystal structure of the Mo-insertase domain Cnx1E from Arabidopsis thaliana | Descriptor: | GLYCEROL, MAGNESIUM ION, MOLYBDOPTERIN BIOSYNTHESIS PROTEIN CNX1, ... | Authors: | Krausze, J, Saha, S, Probst, C, Kruse, T, Heinz, D.W, Mendel, R.R. | Deposit date: | 2016-04-13 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Dimerization of the Plant Molybdenum Insertase Cnx1E is Required for Synthesis of the Molybdenum Cofactor. Biochem.J., 474, 2017
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6K2Q
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![BU of 6k2q by Molmil](/molmil-images/mine/6k2q) | Aeromonas hydrophila MtaN-2 complexed with adenine | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE | Authors: | Chen, J, Liu, W, Wang, L, Shang, F, Lan, J, Chen, Y, Xu, Y. | Deposit date: | 2019-05-15 | Release date: | 2019-05-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Aeromonas hydrophila Cytoplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase. Biochemistry, 58, 2019
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4NGM
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![BU of 4ngm by Molmil](/molmil-images/mine/4ngm) | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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2WNE
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![BU of 2wne by Molmil](/molmil-images/mine/2wne) | Mutant Laminarinase 16A cyclizes laminariheptaose | Descriptor: | PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | Authors: | Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H.M, Hansson, H, Engstrom, A, Einarsson, E, Forsberg, Z, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J. | Deposit date: | 2009-07-09 | Release date: | 2010-01-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium. J.Am.Chem.Soc., 132, 2010
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4PRD
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![BU of 4prd by Molmil](/molmil-images/mine/4prd) | Crystal structure of a HLA-B*35:08-HPVG-D5 | Descriptor: | ACETATE ION, Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, ... | Authors: | Yu Chih, L, Rossjohn, J, Gras, S. | Deposit date: | 2014-03-05 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism. J.Biol.Chem., 289, 2014
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4NK3
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![BU of 4nk3 by Molmil](/molmil-images/mine/4nk3) | Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655 | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | Deposit date: | 2013-11-12 | Release date: | 2014-02-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin(). Bioorg.Med.Chem.Lett., 24, 2014
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6JX6
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![BU of 6jx6 by Molmil](/molmil-images/mine/6jx6) | Tetrameric form of Smac | Descriptor: | Diablo homolog, mitochondrial | Authors: | Sivaraman, J, Singh, S, Ng, J, Nayak, D. | Deposit date: | 2019-04-22 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Structural insights into a HECT-type E3 ligase AREL1 and its ubiquitination activitiesin vitro. J.Biol.Chem., 294, 2019
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2ZNN
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![BU of 2znn by Molmil](/molmil-images/mine/2znn) | Human PPAR alpha ligand binding domain in complex with a synthetic agonist TIPP703 | Descriptor: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Oyama, T, Toyota, K, Kasuga, J, Miyachi, H, Morikawa, K. | Deposit date: | 2008-04-30 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures Acta Crystallogr.,Sect.D, 65, 2009
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3WWX
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![BU of 3wwx by Molmil](/molmil-images/mine/3wwx) | Crystal structure of D-stereospecific amidohydrolase from Streptomyces sp. 82F2 | Descriptor: | OCTANE 1,8-DIAMINE, S12 family peptidase | Authors: | Arima, J, Nagano, S, Hino, T, Shimone, K, Isoda, Y, Mori, N. | Deposit date: | 2014-07-03 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structure of D-stereospecific amidohydrolase from Streptomyces sp. 82F2 - insight into the structural factors for substrate specificity. Febs J., 283, 2016
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6K0N
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![BU of 6k0n by Molmil](/molmil-images/mine/6k0n) | Catalytic domain of GH87 alpha-1,3-glucanase in complex with nigerose | Descriptor: | ACETIC ACID, Alpha-1,3-glucanase, CALCIUM ION, ... | Authors: | Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T. | Deposit date: | 2019-05-07 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11. Febs J., 287, 2020
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4NGR
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![BU of 4ngr by Molmil](/molmil-images/mine/4ngr) | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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