4YDL
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![BU of 4ydl by Molmil](/molmil-images/mine/4ydl) | Crystal structure of broadly and potently neutralizing antibody C38-VRC18.02 in complex with HIV-1 clade AE strain 93TH057gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Envelope glycoprotein gp160,Envelope glycoprotein gp160, ... | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | Deposit date: | 2015-02-22 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell, 161, 2015
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6OCU
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![BU of 6ocu by Molmil](/molmil-images/mine/6ocu) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | Descriptor: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-03-25 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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4YDI
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![BU of 4ydi by Molmil](/molmil-images/mine/4ydi) | Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | Deposit date: | 2015-02-22 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.452 Å) | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell, 161, 2015
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4YDJ
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![BU of 4ydj by Molmil](/molmil-images/mine/4ydj) | Crystal structure of broadly and potently neutralizing antibody 44-VRC13.01 in complex with HIV-1 clade AE strain 93TH057 gp120 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | Deposit date: | 2015-02-22 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.308 Å) | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell, 161, 2015
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6OCO
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![BU of 6oco by Molmil](/molmil-images/mine/6oco) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | Descriptor: | 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-03-25 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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4YDK
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![BU of 4ydk by Molmil](/molmil-images/mine/4ydk) | Crystal structure of broadly and potently neutralizing antibody C38-VRC16.01 in complex with HIV-1 clade AE strain 93TH057 gp120 | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhou, T, Moquin, S, Zheng, A, Kwong, P.D. | Deposit date: | 2015-02-22 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell, 161, 2015
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4YFL
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![BU of 4yfl by Molmil](/molmil-images/mine/4yfl) | Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 1B2530 in complex with HIV-1 clade A/E 93TH057 gp120 | Descriptor: | 1B2530 Light chain, 1B2530 heavy chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Acharya, P, Zhou, T, Moquin, S, Kwong, P.D. | Deposit date: | 2015-02-25 | Release date: | 2015-06-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.387 Å) | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell, 161, 2015
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7LPN
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![BU of 7lpn by Molmil](/molmil-images/mine/7lpn) | |
6URM
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![BU of 6urm by Molmil](/molmil-images/mine/6urm) | Crystal structure of vaccine-elicited receptor-binding site targeting antibody LPAF-a.01 in complex with Hemagglutinin H1 A/California/04/2009 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Zhou, T, Cheung, S.F, Kwong, P.D. | Deposit date: | 2019-10-23 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Identification and Structure of a Multidonor Class of Head-Directed Influenza-Neutralizing Antibodies Reveal the Mechanism for Its Recurrent Elicitation. Cell Rep, 32, 2020
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8FIS
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![BU of 8fis by Molmil](/molmil-images/mine/8fis) | Structure of Bispecific CAP256V2LS-J3 Fab in complex with BG505 DS-SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2022-12-16 | Release date: | 2023-02-01 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Bispecific antibody CAP256.J3LS targets V2-apex and CD4-binding sites with high breadth and potency. Mabs, 15, 2023
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2ADY
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![BU of 2ady by Molmil](/molmil-images/mine/2ady) | Structural Basis of DNA Recognition by p53 Tetramers (complex IV) | Descriptor: | 5'-D(*CP*GP*GP*AP*CP*AP*TP*GP*TP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION | Authors: | Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z. | Deposit date: | 2005-07-21 | Release date: | 2006-07-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of DNA Recognition by p53 Tetramers Mol.Cell, 22, 2006
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2AC0
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![BU of 2ac0 by Molmil](/molmil-images/mine/2ac0) | Structural Basis of DNA Recognition by p53 Tetramers (complex I) | Descriptor: | 5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION | Authors: | Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z. | Deposit date: | 2005-07-18 | Release date: | 2006-07-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of DNA Recognition by p53 Tetramers Mol.Cell, 22, 2006
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7R73
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![BU of 7r73 by Molmil](/molmil-images/mine/7r73) | |
7RI2
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![BU of 7ri2 by Molmil](/molmil-images/mine/7ri2) | |
7RI1
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![BU of 7ri1 by Molmil](/molmil-images/mine/7ri1) | |
7R74
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![BU of 7r74 by Molmil](/molmil-images/mine/7r74) | |
2ATA
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![BU of 2ata by Molmil](/molmil-images/mine/2ata) | Structural Basis of DNA Recognition by p53 Tetramers (complex II) | Descriptor: | 5'-D(*AP*AP*GP*GP*CP*AP*TP*GP*CP*CP*TP*T)-3', Cellular tumor antigen p53, ZINC ION | Authors: | Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z. | Deposit date: | 2005-08-24 | Release date: | 2006-07-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of DNA Recognition by p53 Tetramers Mol.Cell, 22, 2006
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2AHI
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![BU of 2ahi by Molmil](/molmil-images/mine/2ahi) | Structural Basis of DNA Recognition by p53 Tetramers (complex III) | Descriptor: | 5'-D(*CP*GP*GP*AP*CP*AP*TP*GP*TP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION | Authors: | Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z. | Deposit date: | 2005-07-28 | Release date: | 2006-07-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis of DNA Recognition by p53 Tetramers Mol.Cell, 22, 2006
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5GSW
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![BU of 5gsw by Molmil](/molmil-images/mine/5gsw) | Crystal structure of EV71 3C in complex with N69S 1.8k | Descriptor: | 3C protein, ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Wang, Y. | Deposit date: | 2016-08-17 | Release date: | 2017-05-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure of the Enterovirus 71 3C Protease in Complex with NK-1.8k and Indications for the Development of Antienterovirus Protease Inhibitor Antimicrob. Agents Chemother., 61, 2017
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5GSO
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![BU of 5gso by Molmil](/molmil-images/mine/5gso) | Crystal Structures of EV71 3C Protease in complex with NK-1.8k | Descriptor: | 3C protein, ~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | Authors: | Wang, Y. | Deposit date: | 2016-08-16 | Release date: | 2017-05-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the Enterovirus 71 3C Protease in Complex with NK-1.8k and Indications for the Development of Antienterovirus Protease Inhibitor Antimicrob. Agents Chemother., 61, 2017
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4YQH
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![BU of 4yqh by Molmil](/molmil-images/mine/4yqh) | 2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A | Descriptor: | 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ... | Authors: | Burdi, D, Herman, L, Wang, T. | Deposit date: | 2015-03-13 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.308 Å) | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A. Bioorg.Med.Chem.Lett., 25, 2015
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4YS7
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![BU of 4ys7 by Molmil](/molmil-images/mine/4ys7) | Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A | Descriptor: | 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Burdi, D.F, Herman, L, Wang, T. | Deposit date: | 2015-03-16 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A. Bioorg.Med.Chem.Lett., 25, 2015
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8AED
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![BU of 8aed by Molmil](/molmil-images/mine/8aed) | |
5K9J
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![BU of 5k9j by Molmil](/molmil-images/mine/5k9j) | Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 isolated following H5 immunization. | Descriptor: | 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34) | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-31 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
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1GPU
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![BU of 1gpu by Molmil](/molmil-images/mine/1gpu) | Transketolase complex with reaction intermediate | Descriptor: | 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, TRANSKETOLASE 1 | Authors: | Fiedler, E, Thorell, S, Sandalova, T, Koenig, S, Schneider, G. | Deposit date: | 2001-11-09 | Release date: | 2002-02-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Snapshot of a Key Intermediate in Enzymatic Thiamin Catalysis: Crystal Structure of the Alpha-Carbanion of (Alpha,Beta-Dihydroxyethyl)-Thiamin Diphosphate in the Active Site of Transketolase from Saccharomyces Cerevisiae. Proc.Natl.Acad.Sci.USA, 99, 2002
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