4WYM
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![BU of 4wym by Molmil](/molmil-images/mine/4wym) | Structural basis of HIV-1 capsid recognition by CPSF6 | Descriptor: | Capsid protein p24, ISOFORM 2 OF CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6 | Authors: | Battacharya, A, Taylor, A.B, Hart, P.J, Ivanov, D.N. | Deposit date: | 2014-11-17 | Release date: | 2014-12-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of HIV-1 capsid recognition by PF74 and CPSF6. Proc.Natl.Acad.Sci.USA, 111, 2014
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4Z0P
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![BU of 4z0p by Molmil](/molmil-images/mine/4z0p) | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADPH and oxalate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Porebski, P.J, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-03-26 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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6G7D
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![BU of 6g7d by Molmil](/molmil-images/mine/6g7d) | |
6RSB
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![BU of 6rsb by Molmil](/molmil-images/mine/6rsb) | |
6TRO
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![BU of 6tro by Molmil](/molmil-images/mine/6tro) | Crystal structure of the T-cell receptor GVY01 bound to HLA A2*01-GVYDGREHTV | Descriptor: | Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239), MHC class I antigen, ... | Authors: | Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S. | Deposit date: | 2019-12-19 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4. J.Biol.Chem., 295, 2020
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6TRN
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![BU of 6trn by Molmil](/molmil-images/mine/6trn) | Crystal structure of HLA A2*01-AVYDGREHTV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MAGE-A4 peptide (amino acids 230-239) variant, ... | Authors: | Coles, C.H, McMurran, C, Lloyd, A, Hibbert, L, Lupardus, P.J, Cole, D.K, Harper, S. | Deposit date: | 2019-12-19 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | T cell receptor interactions with human leukocyte antigen govern indirect peptide selectivity for the cancer testis antigen MAGE-A4. J.Biol.Chem., 295, 2020
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6N7B
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![BU of 6n7b by Molmil](/molmil-images/mine/6n7b) | Structure of the human JAK1 kinase domain with compound 38 | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
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2OXE
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![BU of 2oxe by Molmil](/molmil-images/mine/2oxe) | Structure of the Human Pancreatic Lipase-related Protein 2 | Descriptor: | CALCIUM ION, CHLORIDE ION, Pancreatic lipase-related protein 2, ... | Authors: | Walker, J.R, Davis, T, Seitova, A, Finerty Jr, P.J, Butler-Cole, C, Kozieradzki, I, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-20 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation. Biochemistry, 47, 2008
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1A0L
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![BU of 1a0l by Molmil](/molmil-images/mine/1a0l) | HUMAN BETA-TRYPTASE: A RING-LIKE TETRAMER WITH ACTIVE SITES FACING A CENTRAL PORE | Descriptor: | (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, BETA-TRYPTASE | Authors: | Pereira, P.J.B, Bergner, A, Macedo-Ribeiro, S, Huber, R, Matschiner, G, Fritz, H, Sommerhoff, C.P, Bode, W. | Deposit date: | 1997-12-03 | Release date: | 1999-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human beta-tryptase is a ring-like tetramer with active sites facing a central pore. Nature, 392, 1998
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1T31
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![BU of 1t31 by Molmil](/molmil-images/mine/1t31) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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1DZ7
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![BU of 1dz7 by Molmil](/molmil-images/mine/1dz7) | Solution structure of the a-subunit of human chorionic gonadotropin [modeled without carbohydrate residues] | Descriptor: | CHORIONIC GONADOTROPIN | Authors: | Erbel, P.J.A, Karimi-Nejad, Y, De Beer, T, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | Deposit date: | 2000-02-18 | Release date: | 2000-02-29 | Last modified: | 2019-10-09 | Method: | SOLUTION NMR | Cite: | Solution structure of the alpha-subunit of human chorionic gonadotropin. Eur.J.Biochem., 260, 1999
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2F4W
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![BU of 2f4w by Molmil](/molmil-images/mine/2f4w) | Human ubiquitin-conjugating enzyme E2 J2 | Descriptor: | ubiquitin-conjugating enzyme E2, J2 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Finerty Jr, P.J, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-11-24 | Release date: | 2005-12-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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1E3T
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![BU of 1e3t by Molmil](/molmil-images/mine/1e3t) | Solution Structure of the NADP(H) binding Component (dIII) of Proton-Translocating Transhydrogenase from Rhodospirillum rubrum | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE (SUBUNIT BETA) | Authors: | Jeeves, M, Smith, K.J, Quirk, P.G, Cotton, N.P.J, Jackson, J.B. | Deposit date: | 2000-06-22 | Release date: | 2000-10-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Nadp(H)-Binding Component (Diii) of Proton-Translocating Transhydrogenase from Rhodospirillum Rubrum Biochim.Biophys.Acta, 1459, 2000
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2XYU
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![BU of 2xyu by Molmil](/molmil-images/mine/2xyu) | Crystal structure of EphA4 kinase domain in complex with VUF 12058 | Descriptor: | 5-(5-FLUORO-2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-1-AMINE, EPHRIN TYPE-A RECEPTOR 4,, GLYCEROL | Authors: | Farenc, C.J.A, Celie, P.H.N, vanLinden, O.P.J, Siegal, G. | Deposit date: | 2010-11-19 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.117 Å) | Cite: | Fragment Based Lead Discovery of Small Molecule Inhibitors for the Epha4 Receptor Tyrosine Kinase. Eur.J.Med.Chem., 47, 2012
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1CLV
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![BU of 1clv by Molmil](/molmil-images/mine/1clv) | YELLOW MEAL WORM ALPHA-AMYLASE IN COMPLEX WITH THE AMARANTH ALPHA-AMYLASE INHIBITOR | Descriptor: | CALCIUM ION, CHLORIDE ION, PROTEIN (ALPHA-AMYLASE INHIBITOR), ... | Authors: | Pereira, P.J.B, Lozanov, V, Patthy, A, Huber, R, Bode, W, Pongor, S, Strobl, S. | Deposit date: | 1999-05-04 | Release date: | 2000-05-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specific inhibition of insect alpha-amylases: yellow meal worm alpha-amylase in complex with the amaranth alpha-amylase inhibitor at 2.0 A resolution. Structure Fold.Des., 7, 1999
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2M5M
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![BU of 2m5m by Molmil](/molmil-images/mine/2m5m) | Atomic-resolution structure of a triplet cross-beta amyloid fibril | Descriptor: | Transthyretin | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | Deposit date: | 2013-02-27 | Release date: | 2013-12-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (12.2 Å), SOLID-STATE NMR | Cite: | Atomic structure and hierarchical assembly of a cross-beta amyloid fibril. Proc.Natl.Acad.Sci.USA, 110, 2013
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2M5K
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![BU of 2m5k by Molmil](/molmil-images/mine/2m5k) | Atomic-resolution structure of a doublet cross-beta amyloid fibril | Descriptor: | Transthyretin | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | Deposit date: | 2013-02-27 | Release date: | 2013-12-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (12.7 Å), SOLID-STATE NMR | Cite: | Atomic structure and hierarchical assembly of a cross-beta amyloid fibril. Proc.Natl.Acad.Sci.USA, 110, 2013
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7S8K
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![BU of 7s8k by Molmil](/molmil-images/mine/7s8k) | Crystal structure of a GH12-2 family cellulase from Thermococcus sp. 2319x1 | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A. | Deposit date: | 2021-09-18 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | GH12-2 family cellulase To Be Published
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4H35
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8CMF
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![BU of 8cmf by Molmil](/molmil-images/mine/8cmf) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp3 epitope (orf1ab)1350-1364 | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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8CMI
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![BU of 8cmi by Molmil](/molmil-images/mine/8cmi) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S761-775 | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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8CME
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![BU of 8cme by Molmil](/molmil-images/mine/8cme) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Membrane peptide M176-190 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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8CMB
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![BU of 8cmb by Molmil](/molmil-images/mine/8cmb) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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8CMD
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![BU of 8cmd by Molmil](/molmil-images/mine/8cmd) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S761-775 | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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8CMH
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![BU of 8cmh by Molmil](/molmil-images/mine/8cmh) | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S486-505 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | Deposit date: | 2023-02-19 | Release date: | 2023-07-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity. Cell Rep, 42, 2023
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