7Q64
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![BU of 7q64 by Molmil](/molmil-images/mine/7q64) | Cryo-em structure of the Nup98 fibril polymorph 1 | Descriptor: | Nuclear pore complex protein Nup98 | Authors: | Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M. | Deposit date: | 2021-11-05 | Release date: | 2022-10-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Molecular interactions of FG nucleoporin repeats at high resolution. Nat.Chem., 14, 2022
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5J64
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![BU of 5j64 by Molmil](/molmil-images/mine/5j64) | Crystal Structure of Hsp90-alpha N-domain in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one | Descriptor: | 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Heat shock protein HSP 90-alpha | Authors: | Amaral, M, Matias, P. | Deposit date: | 2016-04-04 | Release date: | 2017-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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1C4O
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![BU of 1c4o by Molmil](/molmil-images/mine/1c4o) | CRYSTAL STRUCTURE OF THE DNA NUCLEOTIDE EXCISION REPAIR ENZYME UVRB FROM THERMUS THERMOPHILUS | Descriptor: | DNA NUCLEOTIDE EXCISION REPAIR ENZYME UVRB, SULFATE ION, octyl beta-D-glucopyranoside | Authors: | Machius, M, Henry, L, Palnitkar, M, Deisenhofer, J. | Deposit date: | 1999-09-14 | Release date: | 2000-07-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the DNA nucleotide excision repair enzyme UvrB from Thermus thermophilus. Proc.Natl.Acad.Sci.USA, 96, 1999
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7Q65
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![BU of 7q65 by Molmil](/molmil-images/mine/7q65) | Cryo-em structure of the Nup98 fibril polymorph 2 | Descriptor: | Nuclear pore complex protein Nup98 | Authors: | Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M. | Deposit date: | 2021-11-05 | Release date: | 2022-10-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Molecular interactions of FG nucleoporin repeats at high resolution. Nat.Chem., 14, 2022
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1UG0
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![BU of 1ug0 by Molmil](/molmil-images/mine/1ug0) | Solution structure of SURP domain in BAB30904 | Descriptor: | splicing factor 4 | Authors: | He, F, Muto, Y, Ushikoshi, R, Koshiba, S, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Kobayashi, N, Tanaka, A, Osanai, T, Matsuo, Y, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-11 | Release date: | 2004-08-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of SURP domain in BAB30904 To be Published
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5GUL
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![BU of 5gul by Molmil](/molmil-images/mine/5gul) | Crystal structure of Tris/PPix2/Mg2+ bound form of cyclolavandulyl diphosphate synthase (CLDS) from Streptomyces sp. CL190 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclolavandulyl diphosphate synthase, MAGNESIUM ION, ... | Authors: | Tomita, T, Kobayashi, M, Nishiyama, M, Kuzuyama, T. | Deposit date: | 2016-08-29 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure and Mechanism of the Monoterpene Cyclolavandulyl Diphosphate Synthase that Catalyzes Consecutive Condensation and Cyclization. Angew. Chem. Int. Ed. Engl., 56, 2017
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5TBW
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![BU of 5tbw by Molmil](/molmil-images/mine/5tbw) | Crystal structure of chlorolissoclimide bound to the yeast 80S ribosome | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Konst, Z.A, Szklarski, A.R, Pellegrino, S, Michalak, S.E, Meyer, M, Zanette, C, Cencic, R, Nam, S, Horne, D.A, Pelletier, J, Mobley, D.L, Yusupova, G, Yusupov, M, Vanderwal, C.D. | Deposit date: | 2016-09-13 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimides. Nat Chem, 9, 2017
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6GE2
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![BU of 6ge2 by Molmil](/molmil-images/mine/6ge2) | exendin-4 based dual GLP-1/glucagon receptor agonist | Descriptor: | (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, Exendin-4 | Authors: | Evers, A, Kurz, M. | Deposit date: | 2018-04-25 | Release date: | 2018-06-20 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations. J. Med. Chem., 61, 2018
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1BYC
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![BU of 1byc by Molmil](/molmil-images/mine/1byc) | CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS | Descriptor: | BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C. | Deposit date: | 1994-01-25 | Release date: | 1994-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis. Biochemistry, 33, 1994
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6CP7
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![BU of 6cp7 by Molmil](/molmil-images/mine/6cp7) | Monomer yeast ATP synthase Fo reconstituted in nanodisc generated from masked refinement. | Descriptor: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | Authors: | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | Deposit date: | 2018-03-13 | Release date: | 2018-04-11 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane. Science, 360, 2018
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5JHR
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![BU of 5jhr by Molmil](/molmil-images/mine/5jhr) | Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 27 | Descriptor: | (2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2016-04-21 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes. J.Med.Chem., 59, 2016
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7Q67
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![BU of 7q67 by Molmil](/molmil-images/mine/7q67) | Cryo-em structure of the Nup98 fibril polymorph 4 | Descriptor: | Nuclear pore complex protein Nup98 | Authors: | Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M. | Deposit date: | 2021-11-05 | Release date: | 2022-10-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Molecular interactions of FG nucleoporin repeats at high resolution. Nat.Chem., 14, 2022
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5J72
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![BU of 5j72 by Molmil](/molmil-images/mine/5j72) | Cwp6 from Clostridium difficile | Descriptor: | CALCIUM ION, CHLORIDE ION, CITRIC ACID, ... | Authors: | Renko, M, Usenik, A, Turk, D. | Deposit date: | 2016-04-05 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6. Structure, 25, 2017
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6SPK
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![BU of 6spk by Molmil](/molmil-images/mine/6spk) | A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 6 | Descriptor: | 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Chantadul, V, Amporndanai, K, Wright, G, Shahid, M, Antonyuk, S, Hasnain, S. | Deposit date: | 2019-09-01 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
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7QQR
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![BU of 7qqr by Molmil](/molmil-images/mine/7qqr) | SpCas9 bound to AAVS1 off-target5 DNA substrate | Descriptor: | 1,2-ETHANEDIOL, AAVS1 off-target5 non-target strand, AAVS1 off-target5 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QQV
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![BU of 7qqv by Molmil](/molmil-images/mine/7qqv) | SpCas9 bound to FANCF off-target3 DNA substrate | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target3 non-target strand, FANCF off-target3 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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5J86
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![BU of 5j86 by Molmil](/molmil-images/mine/5j86) | Crystal Structure of Hsp90-alpha N-domain in complex with 2,4-Dihydroxy-N-methyl-5-(5-oxo-4-o-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-N-thiophen-2-ylmethyl-benzamide | Descriptor: | 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide, Heat shock protein HSP 90-alpha | Authors: | Amaral, M, Matias, P. | Deposit date: | 2016-04-07 | Release date: | 2017-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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4ZZN
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![BU of 4zzn by Molmil](/molmil-images/mine/4zzn) | Human ERK2 in complex with an inhibitor | Descriptor: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | Deposit date: | 2015-04-10 | Release date: | 2015-05-27 | Last modified: | 2015-08-26 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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5H0E
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![BU of 5h0e by Molmil](/molmil-images/mine/5h0e) | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
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7QR5
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![BU of 7qr5 by Molmil](/molmil-images/mine/7qr5) | SpCas9 bound to FANCF off-target6 DNA substrate | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target6 non-target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-17 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QQO
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![BU of 7qqo by Molmil](/molmil-images/mine/7qqo) | SpCas9 bound to AAVS1 off-target1 DNA substrate | Descriptor: | AAVS1 off-target1 non-target strand, AAVS1 off-target1 target strand, AAVS1 sgRNA, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QQQ
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![BU of 7qqq by Molmil](/molmil-images/mine/7qqq) | SpCas9 bound to AAVS1 off-target4 DNA substrate | Descriptor: | 1,2-ETHANEDIOL, AAVS1 off-target4 non-target strand, AAVS1 off-target4 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QQU
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![BU of 7qqu by Molmil](/molmil-images/mine/7qqu) | SpCas9 bound to FANCF off-target2 DNA substrate | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target2 non-target strand, FANCF off-target2 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QQT
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![BU of 7qqt by Molmil](/molmil-images/mine/7qqt) | SpCas9 bound to FANCF off-target1 DNA substrate | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target1 non-target strand, FANCF off-target1 target strand, ... | Authors: | Pacesa, M, Jinek, M. | Deposit date: | 2022-01-10 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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1BYD
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![BU of 1byd by Molmil](/molmil-images/mine/1byd) | CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS | Descriptor: | BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-2-deoxy-beta-D-arabino-hexopyranose | Authors: | Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C. | Deposit date: | 1994-01-25 | Release date: | 1994-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis. Biochemistry, 33, 1994
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