6MJT
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![BU of 6mjt by Molmil](/molmil-images/mine/6mjt) | Azurin 122F/124W/126Re | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | Deposit date: | 2018-09-21 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein. ACS Cent Sci, 5, 2019
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6MJS
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![BU of 6mjs by Molmil](/molmil-images/mine/6mjs) | Azurin 122W/124W/126Re | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | Deposit date: | 2018-09-21 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein. ACS Cent Sci, 5, 2019
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5H3U
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![BU of 5h3u by Molmil](/molmil-images/mine/5h3u) | Sm RNA bound to GEMIN5-WD | Descriptor: | GLYCEROL, Gem-associated protein 5, RNA (5'-R(*AP*AP*UP*UP*UP*UP*UP*GP*AP*C)-3') | Authors: | Bharath, S.R, Tang, X, Song, H. | Deposit date: | 2016-10-27 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Structural basis for specific recognition of pre-snRNA by Gemin5 Cell Res., 26, 2016
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5FHF
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![BU of 5fhf by Molmil](/molmil-images/mine/5fhf) | Crystal structure of Bacteroides sp Pif1 in complex with ADP-AlF4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TETRAFLUOROALUMINATE ION, Uncharacterized protein | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | Deposit date: | 2015-12-22 | Release date: | 2016-03-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1 Cell Rep, 14, 2016
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8GV5
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![BU of 8gv5 by Molmil](/molmil-images/mine/8gv5) | Crystal structure of PN-SIA28 in complex with influenza hemagglutinin A/swine/Guangdong/104/2013 (H1N1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Chen, Y, Song, H, Qi, J, Gao, G.F. | Deposit date: | 2022-09-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes. Nat Commun, 13, 2022
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5FHE
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![BU of 5fhe by Molmil](/molmil-images/mine/5fhe) | Crystal structure of Bacteroides Pif1 bound to ssDNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | Deposit date: | 2015-12-22 | Release date: | 2016-03-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1 Cell Rep, 14, 2016
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3ZYZ
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![BU of 3zyz by Molmil](/molmil-images/mine/3zyz) | Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, Bgl1 from Hypocrea jecorina at 2.1A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCOSIDE GLUCOHYDROLASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandgren, M, Kaper, T, Mikkelsen, N.E, Hansson, H, Piens, K, Gudmundsson, M, Larenas, E, Kelemen, B, Karkehabadi, S. | Deposit date: | 2011-08-30 | Release date: | 2012-12-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical Characterization and Crystal Structures of a Fungal Family 3 Beta-Glucosidase, Cel3A from Hypocrea Jecorina. J.Biol.Chem., 289, 2014
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5FHG
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![BU of 5fhg by Molmil](/molmil-images/mine/5fhg) | |
5H3S
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![BU of 5h3s by Molmil](/molmil-images/mine/5h3s) | apo form of GEMIN5-WD | Descriptor: | GLYCEROL, Gem-associated protein 5 | Authors: | Bharath, S.R, Tang, X, Song, H. | Deposit date: | 2016-10-27 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for specific recognition of pre-snRNA by Gemin5 Cell Res., 26, 2016
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5FHH
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![BU of 5fhh by Molmil](/molmil-images/mine/5fhh) | Structure of human Pif1 helicase domain residues 200-641 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, TETRAFLUOROALUMINATE ION | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | Deposit date: | 2015-12-22 | Release date: | 2016-03-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1 Cell Rep, 14, 2016
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5WZ3
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![BU of 5wz3 by Molmil](/molmil-images/mine/5wz3) | Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase(RdRP) | Descriptor: | NS5 RdRp, ZINC ION | Authors: | Duan, W, Song, H, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2017-01-16 | Release date: | 2017-03-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | The crystal structure of Zika virus NS5 reveals conserved drug targets. EMBO J., 36, 2017
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2PRT
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![BU of 2prt by Molmil](/molmil-images/mine/2prt) | Structure of the Wilms Tumor Suppressor Protein Zinc Finger Domain Bound to DNA | Descriptor: | DNA (5'-D(*CP*AP*GP*AP*CP*GP*CP*CP*CP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*GP*GP*GP*CP*GP*TP*CP*TP*G)-3'), Wilms tumor 1, ... | Authors: | Stoll, R, Lee, B.M, Debler, E.W, Laity, J.H, Wilson, I.A, Dyson, H.J, Wright, P.E. | Deposit date: | 2007-05-04 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure of the Wilms tumor suppressor protein zinc finger domain bound to DNA J.Mol.Biol., 372, 2007
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6A9A
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![BU of 6a9a by Molmil](/molmil-images/mine/6a9a) | Ternary complex crystal structure of dCH with dCMP and THF | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidylate 5-hydroxymethyltransferase, ... | Authors: | Park, S.H, Song, H.K. | Deposit date: | 2018-07-12 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A cytosine modification mechanism revealed by the structure of a ternary complex of deoxycytidylate hydroxymethylase from bacteriophage T4 with its cofactor and substrate. Iucrj, 6, 2019
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6LZG
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![BU of 6lzg by Molmil](/molmil-images/mine/6lzg) | Structure of novel coronavirus spike receptor-binding domain complexed with its receptor ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Wang, Q.H, Song, H, Qi, J.X. | Deposit date: | 2020-02-19 | Release date: | 2020-03-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2. Cell, 181, 2020
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6N6J
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![BU of 6n6j by Molmil](/molmil-images/mine/6n6j) | Human REXO2 bound to pAA | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MALONATE ION, ... | Authors: | Lormand, J.D, Sondermann, H. | Deposit date: | 2018-11-26 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.317 Å) | Cite: | A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation. Elife, 8, 2019
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8G69
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![BU of 8g69 by Molmil](/molmil-images/mine/8g69) | Wildtype PTP1b in complex with DES5743 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ... | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | Deposit date: | 2023-02-14 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
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8G67
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![BU of 8g67 by Molmil](/molmil-images/mine/8g67) | Wildtype PTP1b in complex with DES4884 | Descriptor: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | Deposit date: | 2023-02-14 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
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8G6A
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![BU of 8g6a by Molmil](/molmil-images/mine/8g6a) | Wildtype PTP1b in complex with DES6016 | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, TRIETHYLENE GLYCOL, ... | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | Deposit date: | 2023-02-14 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
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8G65
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![BU of 8g65 by Molmil](/molmil-images/mine/8g65) | Wildtype PTP1b in complex with DES4799 | Descriptor: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | Deposit date: | 2023-02-14 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
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3ZZ1
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![BU of 3zz1 by Molmil](/molmil-images/mine/3zz1) | Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, Bgl1 from Hypocrea jecorina at 2.1A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCOSIDE GLUCOHYDROLASE, GLYCEROL | Authors: | Sandgren, M, Kaper, T, Mikkelsen, N.E, Hansson, H, Piens, K, Gudmundsson, M, Larenas, E, Kelemen, B, Karkehabadi, S. | Deposit date: | 2011-08-31 | Release date: | 2012-12-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical Characterization and Crystal Structures of a Fungal Family 3 Beta-Glucosidase, Cel3A from Hypocrea Jecorina. J.Biol.Chem., 289, 2014
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5JXE
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![BU of 5jxe by Molmil](/molmil-images/mine/5jxe) | Human PD-1 ectodomain complexed with Pembrolizumab Fab | Descriptor: | Pembrolizumab Fab heavy chain, Pembrolizumab Fab light chain, Programmed cell death protein 1 | Authors: | Na, Z, Bharath, S.R, Song, H. | Deposit date: | 2016-05-13 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for blocking PD-1-mediated immune suppression by therapeutic antibody pembrolizumab. Cell Res., 27, 2017
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5XV1
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![BU of 5xv1 by Molmil](/molmil-images/mine/5xv1) | Crystal structure of ATG101-ATG13HORMA | Descriptor: | Autophagy-related protein 101, Autophagy-related protein 13 | Authors: | Kim, B.-W, Song, H.K. | Deposit date: | 2017-06-26 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.508 Å) | Cite: | Crystal structure of ATG101-ATG13HORMA To Be Published
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6N6K
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![BU of 6n6k by Molmil](/molmil-images/mine/6n6k) | Human REXO2 bound to pAG | Descriptor: | MALONATE ION, RNA (5'-R(P*AP*G)-3'), RNA exonuclease 2 homolog,Small fragment nuclease, ... | Authors: | Lormand, J.D, Sondermann, H. | Deposit date: | 2018-11-26 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.418 Å) | Cite: | A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation. Elife, 8, 2019
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6N6I
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![BU of 6n6i by Molmil](/molmil-images/mine/6n6i) | Human REXO2 bound to pGG | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MALONATE ION, ... | Authors: | Lormand, J.D, Sondermann, H. | Deposit date: | 2018-11-26 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.431 Å) | Cite: | A dedicated diribonucleotidase resolves a key bottleneck for the terminal step of RNA degradation. Elife, 8, 2019
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3V52
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![BU of 3v52 by Molmil](/molmil-images/mine/3v52) | Structure of a monoclonal antibody complexed with its MHC-I antigen | Descriptor: | 1,2-ETHANEDIOL, ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, ... | Authors: | Mage, M.G, Dolan, M.A, Wang, R, Boyd, L.F, Revilleza, M.J, Robinson, H, Natarajan, K, Myers, N.B, Hansen, T.H, Margulies, D.H. | Deposit date: | 2011-12-15 | Release date: | 2012-07-25 | Last modified: | 2012-08-01 | Method: | X-RAY DIFFRACTION (1.697 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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