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8AIJ
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BU of 8aij by Molmil
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
8AIY
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BU of 8aiy by Molmil
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
5GIB
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BU of 5gib by Molmil
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:2024-10-09
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Trypsin bound with Succinic acid
To Be Published
5JYI
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BU of 5jyi by Molmil
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:2024-10-30
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Trypsin bound with succinic acid at 1.9A
To Be Published
3WR1
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BU of 3wr1 by Molmil
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
4UT9
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BU of 4ut9 by Molmil
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:2024-10-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4UTA
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BU of 4uta by Molmil
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
4UTC
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BU of 4utc by Molmil
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:2024-10-23
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
4UTB
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BU of 4utb by Molmil
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:2024-10-16
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
5WJN
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BU of 5wjn by Molmil
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:2024-10-23
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
5WJL
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BU of 5wjl by Molmil
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:2024-10-09
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
4UT7
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BU of 4ut7 by Molmil
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
5LBV
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BU of 5lbv by Molmil
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:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
5LBS
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BU of 5lbs by Molmil
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:2024-10-16
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
8I2Z
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BU of 8i2z by Molmil
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
4UT6
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BU of 4ut6 by Molmil
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:2024-10-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
3M6F
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BU of 3m6f by Molmil
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
7YTB
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BU of 7ytb by Molmil
Crystal structure of Kin4B8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Kin4B8, RETINAL
Authors:Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O.
Deposit date:2022-08-14
Release date:2023-03-15
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
8SXJ
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BU of 8sxj by Molmil
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
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Microsecond dynamics control the HIV-1 Envelope conformation.
Sci Adv, 10, 2024
8SXI
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BU of 8sxi by Molmil
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
5LCV
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BU of 5lcv by Molmil
Structural basis of Zika and Dengue virus potent antibody cross-neutralization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, FORMIC ACID, ...
Authors:Barba-Spaeth, G.
Deposit date:2016-06-22
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
5WKF
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BU of 5wkf by Molmil
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
5WKH
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BU of 5wkh by Molmil
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:2024-10-30
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
6PNN
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BU of 6pnn by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNM
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BU of 6pnm by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020

 

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