8AIJ
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![BU of 8aij by Molmil](/molmil-images/mine/8aij) | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | Authors: | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | Deposit date: | 2022-07-26 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB. J.Med.Chem., 65, 2022
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8AIY
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![BU of 8aiy by Molmil](/molmil-images/mine/8aiy) | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide (4i) | Descriptor: | CALCIUM ION, Fucose-binding lectin PA-IIL, N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide, ... | Authors: | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | Deposit date: | 2022-07-27 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB. J.Med.Chem., 65, 2022
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5GIB
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![BU of 5gib by Molmil](/molmil-images/mine/5gib) | Succinic acid bound trypsin crystallized as dimer | Descriptor: | CALCIUM ION, Cationic trypsin, SUCCINIC ACID | Authors: | Kutumbarao, N.H.V, Manohar, R, KarthiK, L, Malathy, P, Gunasekaran, K, Velmurugan, D. | Deposit date: | 2016-06-22 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Trypsin bound with Succinic acid To Be Published
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5JYI
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![BU of 5jyi by Molmil](/molmil-images/mine/5jyi) | Trypsin bound with succinic acid at 1.9A | Descriptor: | CALCIUM ION, Cationic trypsin, SODIUM ION, ... | Authors: | Manohar, R, Kutumbarao, N.H.V, KarthiK, L, Malathy, P, Velmurugan, D, Gunasekaran, K. | Deposit date: | 2016-05-14 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.914 Å) | Cite: | Trypsin bound with succinic acid at 1.9A To Be Published
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3WR1
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![BU of 3wr1 by Molmil](/molmil-images/mine/3wr1) | Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin | Descriptor: | Hemoglobin subunit alpha-A, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jagadeesan, G, Vinodh Kumar, V, Peters, H.G, Malathy, P, Harikrishna Etti, S, Gunasekaran, K, Aravindhan, S. | Deposit date: | 2014-02-09 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin To be Published
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4UT6
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![BU of 4ut6 by Molmil](/molmil-images/mine/4ut6) | Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ... | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | Deposit date: | 2014-07-18 | Release date: | 2015-01-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
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4UTA
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![BU of 4uta by Molmil](/molmil-images/mine/4uta) | Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8 | Descriptor: | BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 HEAVY CHAIN, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 LIGHT CHAIN, ENVELOPE GLYCOPROTEIN E, ... | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | Deposit date: | 2014-07-18 | Release date: | 2015-01-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
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4UT9
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![BU of 4ut9 by Molmil](/molmil-images/mine/4ut9) | Crystal structure of dengue 2 virus envelope glycoprotein dimer in complex with the ScFv fragment of the broadly neutralizing human antibody EDE1 C10 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C10, ENVELOPE GLYCOPROTEIN E | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | Deposit date: | 2014-07-18 | Release date: | 2015-01-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
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2ICA
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![BU of 2ica by Molmil](/molmil-images/mine/2ica) | CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid | Descriptor: | 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID, Integrin alpha-L | Authors: | Sheriff, S, Einspahr, H. | Deposit date: | 2006-09-12 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1. J.Med.Chem., 49, 2006
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6PNM
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![BU of 6pnm by Molmil](/molmil-images/mine/6pnm) | |
5V3Q
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![BU of 5v3q by Molmil](/molmil-images/mine/5v3q) | Human GSTO1-1 complexed with ML175 | Descriptor: | Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, SULFATE ION | Authors: | Oakley, A.J. | Deposit date: | 2017-03-07 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity. Sci Rep, 7, 2017
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4UTC
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![BU of 4utc by Molmil](/molmil-images/mine/4utc) | Crystal structure of dengue 2 virus envelope glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ENVELOPE GLYCOPROTEIN E, ... | Authors: | Kikuti, C, Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | Deposit date: | 2014-07-18 | Release date: | 2015-01-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
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4UTB
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![BU of 4utb by Molmil](/molmil-images/mine/4utb) | Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, ... | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | Deposit date: | 2014-07-18 | Release date: | 2015-01-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.85 Å) | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
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4UT7
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![BU of 4ut7 by Molmil](/molmil-images/mine/4ut7) | CRYSTAL STRUCTURE OF THE SCFV FRAGMENT OF THE BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 | Descriptor: | BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11 | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | Deposit date: | 2014-07-18 | Release date: | 2015-01-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses. Nature, 520, 2015
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7MMO
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![BU of 7mmo by Molmil](/molmil-images/mine/7mmo) | LY-CoV1404 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.427 Å) | Cite: | LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants. Biorxiv, 2022
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5LBV
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![BU of 5lbv by Molmil](/molmil-images/mine/5lbv) | Structural basis of zika and dengue virus potent antibody cross-neutralization | Descriptor: | SODIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, envelope protein E | Authors: | Barba-Spaeth, G. | Deposit date: | 2016-06-17 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of potent Zika-dengue virus antibody cross-neutralization. Nature, 536, 2016
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5LBS
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![BU of 5lbs by Molmil](/molmil-images/mine/5lbs) | structural basis of Zika and Dengue virus potent antibody cross-neutralization | Descriptor: | 1,2-ETHANEDIOL, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8, SULFATE ION, ... | Authors: | Vaney, M.C, Rouvinski, A, Barba-Spaeth, G, Rey, F.A. | Deposit date: | 2016-06-17 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural basis of potent Zika-dengue virus antibody cross-neutralization. Nature, 536, 2016
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8SXI
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![BU of 8sxi by Molmil](/molmil-images/mine/8sxi) | CH505 Disulfide Stapled SOSIP Bound to b12 Fab | Descriptor: | Envelope glycoprotein gp160, HIV-1 gp41, b12 Heavy Chain, ... | Authors: | Henderson, R. | Deposit date: | 2023-05-22 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Microsecond dynamics control the HIV-1 Envelope conformation. Sci Adv, 10, 2024
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8SXJ
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![BU of 8sxj by Molmil](/molmil-images/mine/8sxj) | CH505 Disulfide Stapled SOSIP Bound to CH235.12 Fab | Descriptor: | CH235.12 Heavy Chain, CH235.12 Light Chain, Envelope glycoprotein gp160, ... | Authors: | Henderson, R. | Deposit date: | 2023-05-22 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Microsecond dynamics control the HIV-1 Envelope conformation. Sci Adv, 10, 2024
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8I2Z
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![BU of 8i2z by Molmil](/molmil-images/mine/8i2z) | Cryo-EM structure of the zeaxanthin-bound kin4B8 | Descriptor: | RETINAL, Xanthorhodopsin, Zeaxanthin | Authors: | Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O. | Deposit date: | 2023-01-15 | Release date: | 2023-03-29 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Phototrophy by antenna-containing rhodopsin pumps in aquatic environments. Nature, 615, 2023
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3M6F
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![BU of 3m6f by Molmil](/molmil-images/mine/3m6f) | CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID | Descriptor: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION | Authors: | Sheriff, S. | Deposit date: | 2010-03-15 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J.Med.Chem., 53, 2010
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5WJN
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![BU of 5wjn by Molmil](/molmil-images/mine/5wjn) | Crystal Structure of HLA-A*11:01-GTS3 | Descriptor: | Beta-2-microglobulin, GTS3 peptide, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Rossjohn, J. | Deposit date: | 2017-07-23 | Release date: | 2017-09-20 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
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5WJL
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![BU of 5wjl by Molmil](/molmil-images/mine/5wjl) | Crystal Structure of HLA-A*11:01 with GTS1 peptide | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GTS1 peptide, ... | Authors: | Gras, S, Rossjohn, J. | Deposit date: | 2017-07-23 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
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5WKH
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![BU of 5wkh by Molmil](/molmil-images/mine/5wkh) | D30 TCR in complex with HLA-A*11:01-GTS3 | Descriptor: | Beta-2-microglobulin, D30 TCR beta chain, GTS3 peptide, ... | Authors: | Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-09-20 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
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5WKF
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![BU of 5wkf by Molmil](/molmil-images/mine/5wkf) | D30 TCR in complex with HLA-A*11:01-GTS1 | Descriptor: | Beta-2-microglobulin, D30 TCR beta chain, GTS1 peptide, ... | Authors: | Gras, S, Rossjohn, J. | Deposit date: | 2017-07-25 | Release date: | 2017-09-20 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response. Nat. Immunol., 18, 2017
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