7LED
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![BU of 7led by Molmil](/molmil-images/mine/7led) | HIV-1 Protease WT (NL4-3) in Complex with PU4 (LR2-78) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LEB
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![BU of 7leb by Molmil](/molmil-images/mine/7leb) | HIV-1 Protease WT (NL4-3) in Complex with PU2 (LR2-79) | Descriptor: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LEH
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![BU of 7leh by Molmil](/molmil-images/mine/7leh) | HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80) | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2021-01-14 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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3NVM
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![BU of 3nvm by Molmil](/molmil-images/mine/3nvm) | |
4HPM
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![BU of 4hpm by Molmil](/molmil-images/mine/4hpm) | PCGF1 Ub fold (RAWUL)/BCORL1 PUFD Complex | Descriptor: | BCL-6 corepressor-like protein 1, PHOSPHATE ION, Polycomb group RING finger protein 1 | Authors: | Junco, S.E, Wang, R, Gaipa, J, Taylor, A.B, Gearhart, M.D, Bardwell, V.J, Hart, P.J, Kim, C.A. | Deposit date: | 2012-10-24 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the Polycomb Group Protein PCGF1 in Complex with BCOR Reveals Basis for Binding Selectivity of PCGF Homologs. Structure, 21, 2013
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3NVI
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![BU of 3nvi by Molmil](/molmil-images/mine/3nvi) | Structure of N-terminal truncated Nop56/58 bound with L7Ae and box C/D RNA | Descriptor: | 50S ribosomal protein L7Ae, NOP5/NOP56 related protein, RNA (5'-R(*CP*UP*CP*UP*GP*AP*CP*CP*GP*AP*AP*AP*GP*GP*CP*GP*UP*GP*AP*UP*GP*AP*GP*C)-3') | Authors: | Li, H, Xue, S, Wang, R. | Deposit date: | 2010-07-08 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.709 Å) | Cite: | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle. Mol.Cell, 39, 2010
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4HPL
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![BU of 4hpl by Molmil](/molmil-images/mine/4hpl) | PCGF1 Ub fold (RAWUL)/BCOR PUFD Complex | Descriptor: | BCL-6 corepressor, Polycomb group RING finger protein 1 | Authors: | Junco, S.E, Wang, R, Gaipa, J, Taylor, A.B, Gearhart, M.D, Bardwell, V.J, Hart, P.J, Kim, C.A. | Deposit date: | 2012-10-24 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Polycomb Group Protein PCGF1 in Complex with BCOR Reveals Basis for Binding Selectivity of PCGF Homologs. Structure, 21, 2013
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4LAK
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![BU of 4lak by Molmil](/molmil-images/mine/4lak) | Crystal structure of Cordyceps militaris IDCase D323N mutant in apo form | Descriptor: | Uracil-5-carboxylate decarboxylase, ZINC ION | Authors: | Xu, S, Li, W, Zhu, J, Wang, R, Li, Z, Xu, G.L, Ding, J. | Deposit date: | 2013-06-20 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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4D8N
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![BU of 4d8n by Molmil](/molmil-images/mine/4d8n) | |
3Q48
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![BU of 3q48 by Molmil](/molmil-images/mine/3q48) | Crystal structure of Pseudomonas aeruginosa CupB2 chaperone | Descriptor: | Chaperone CupB2 | Authors: | Cai, X, Wang, R, Filloux, A, Waksman, G, Meng, G. | Deposit date: | 2010-12-23 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional characterization of Pseudomonas aeruginosa CupB chaperones Plos One, 6, 2011
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3NVK
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![BU of 3nvk by Molmil](/molmil-images/mine/3nvk) | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle | Descriptor: | 50S ribosomal protein L7Ae, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein, ... | Authors: | Xue, S, Wang, R, Li, H. | Deposit date: | 2010-07-08 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.209 Å) | Cite: | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle. Mol.Cell, 39, 2010
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3NMU
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![BU of 3nmu by Molmil](/molmil-images/mine/3nmu) | Crystal Structure of substrate-bound halfmer box C/D RNP | Descriptor: | 50S ribosomal protein L7Ae, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein, ... | Authors: | Li, H, Xue, S, Wang, R. | Deposit date: | 2010-06-22 | Release date: | 2011-05-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.729 Å) | Cite: | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle. Mol.Cell, 39, 2010
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3UYR
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![BU of 3uyr by Molmil](/molmil-images/mine/3uyr) | Structure of a monoclonal antibody complexed with its MHC-I antigen | Descriptor: | 1,2-ETHANEDIOL, H-2 class I histocompatibility antigen, L-D alpha chain, ... | Authors: | Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K. | Deposit date: | 2011-12-06 | Release date: | 2012-07-25 | Last modified: | 2012-08-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics. J.Immunol., 189, 2012
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3UO1
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![BU of 3uo1 by Molmil](/molmil-images/mine/3uo1) | Structure of a monoclonal antibody complexed with its MHC-I antigen | Descriptor: | ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, 64-3-7 L CHAIN, ... | Authors: | Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K. | Deposit date: | 2011-11-16 | Release date: | 2012-07-25 | Last modified: | 2012-08-01 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics. J.Immunol., 189, 2012
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3V4U
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![BU of 3v4u by Molmil](/molmil-images/mine/3v4u) | Structure of a monoclonal antibody complexed with its MHC-I antigen | Descriptor: | ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, 64-3-7 L CHAIN, ... | Authors: | Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K. | Deposit date: | 2011-12-15 | Release date: | 2012-07-25 | Last modified: | 2012-08-01 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics. J.Immunol., 189, 2012
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7C6Q
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![BU of 7c6q by Molmil](/molmil-images/mine/7c6q) | Novel natural PPARalpha agonist with a unique binding mode | Descriptor: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha | Authors: | Tian, S.Y, Wang, R, Zheng, W.L, Li, Y. | Deposit date: | 2020-05-22 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition. Molecules, 26, 2021
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8XC1
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![BU of 8xc1 by Molmil](/molmil-images/mine/8xc1) | C. elegans SID1 in complex with dsRNA | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gong, D.S. | Deposit date: | 2023-12-07 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.21 Å) | Cite: | Structural basis for double-stranded RNA recognition by SID1. Nucleic Acids Res., 52, 2024
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8XBS
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![BU of 8xbs by Molmil](/molmil-images/mine/8xbs) | C. elegans apo-SID1 structure | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gong, D.S. | Deposit date: | 2023-12-07 | Release date: | 2024-06-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.21 Å) | Cite: | Structural basis for double-stranded RNA recognition by SID1. Nucleic Acids Res., 52, 2024
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6VAA
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![BU of 6vaa by Molmil](/molmil-images/mine/6vaa) | Structure of the Fanconi Anemia ID complex bound to ICL DNA | Descriptor: | DNA (26-MER), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | Authors: | Pavletich, N.P. | Deposit date: | 2019-12-17 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex. Nature, 580, 2020
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6VAF
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![BU of 6vaf by Molmil](/molmil-images/mine/6vaf) | |
6VAE
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![BU of 6vae by Molmil](/molmil-images/mine/6vae) | |
7E8M
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![BU of 7e8m by Molmil](/molmil-images/mine/7e8m) | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | Authors: | Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J. | Deposit date: | 2021-03-02 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species. Immunity, 54, 2021
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6VAD
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![BU of 6vad by Molmil](/molmil-images/mine/6vad) | Fanconi Anemia ID complex | Descriptor: | Fanconi anemia group D2 protein, Fanconi anemia, complementation group I | Authors: | Pavletich, N.P. | Deposit date: | 2019-12-17 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex. Nature, 580, 2020
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5XP6
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![BU of 5xp6 by Molmil](/molmil-images/mine/5xp6) | native structure of NDM-1 crystallized at pH5.5 | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... | Authors: | Zhang, H, Ma, G, Lai, J, Sun, H. | Deposit date: | 2017-06-01 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors Nat Commun, 9, 2018
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5XP9
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![BU of 5xp9 by Molmil](/molmil-images/mine/5xp9) | Crystal structure of Bismuth bound NDM-1 | Descriptor: | Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2 | Authors: | Zhang, H, Ma, G, Lai, T.P, Sun, H. | Deposit date: | 2017-06-01 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors Nat Commun, 9, 2018
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