3J7V
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![BU of 3j7v by Molmil](/molmil-images/mine/3j7v) | Capsid Expansion Mechanism Of Bacteriophage T7 Revealed By Multi-State Atomic Models Derived From Cryo-EM Reconstructions | Descriptor: | Major capsid protein 10A | Authors: | Guo, F, Liu, Z, Fang, P.A, Zhang, Q, Wright, E.T, Wu, W, Zhang, C, Vago, F, Ren, Y, Jakata, J, Chiu, W, Serwer, P, Jiang, W. | Deposit date: | 2014-08-12 | Release date: | 2014-10-15 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Capsid expansion mechanism of bacteriophage T7 revealed by multistate atomic models derived from cryo-EM reconstructions. Proc.Natl.Acad.Sci.USA, 111, 2014
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6VHJ
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3AZH
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![BU of 3azh by Molmil](/molmil-images/mine/3azh) | Crystal Structure of Human Nucleosome Core Particle Containing H3K122Q mutation | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | Deposit date: | 2011-05-25 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry, 50, 2011
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1S1G
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![BU of 1s1g by Molmil](/molmil-images/mine/1s1g) | Crystal Structure of Kv4.3 T1 Domain | Descriptor: | Potassium voltage-gated channel subfamily D member 3, ZINC ION | Authors: | Scannevin, R.H, Wang, K.W, Jow, F, Megules, J, Kopsco, D.C, Edris, W, Carroll, K.C, Lu, Q, Xu, W.X, Xu, Z.B, Katz, A.H, Olland, S, Lin, L, Taylor, M, Stahl, M, Malakian, K, Somers, W, Mosyak, L, Bowlby, M.R, Chanda, P, Rhodes, K.J. | Deposit date: | 2004-01-06 | Release date: | 2004-03-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Two N-terminal domains of Kv4 K(+) channels regulate binding to and modulation by KChIP1. Neuron, 41, 2004
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3AZG
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![BU of 3azg by Molmil](/molmil-images/mine/3azg) | Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q mutation | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | Deposit date: | 2011-05-25 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry, 50, 2011
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6W39
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![BU of 6w39 by Molmil](/molmil-images/mine/6w39) | Structure of unphosphorylated IRE1 in complex with G-1749 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.736 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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3AYW
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![BU of 3ayw by Molmil](/molmil-images/mine/3ayw) | Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q mutation | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | Deposit date: | 2011-05-19 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry, 50, 2011
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3AZI
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![BU of 3azi by Molmil](/molmil-images/mine/3azi) | Crystal Structure of Human Nucleosome Core Particle Containing H4K31Q mutation | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | Deposit date: | 2011-05-25 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry, 50, 2011
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6W3B
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![BU of 6w3b by Molmil](/molmil-images/mine/6w3b) | Structure of apo unphosphorylated IRE1 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H, Mortara, K, Ferri, E, Rudolph, J, Wang, W. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6W3K
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![BU of 6w3k by Molmil](/molmil-images/mine/6w3k) | Structure of unphosphorylated human IRE1 bound to G-9807 | Descriptor: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Lammens, A, Wang, W, Ferri, E, Rudolph, J. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6W3E
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![BU of 6w3e by Molmil](/molmil-images/mine/6w3e) | Structure of phosphorylated IRE1 in complex with G-0701 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.737 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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3AZJ
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![BU of 3azj by Molmil](/molmil-images/mine/3azj) | Crystal Structure of Human Nucleosome Core Particle Containing H4K44Q mutation | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | Deposit date: | 2011-05-25 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry, 50, 2011
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5ZHY
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![BU of 5zhy by Molmil](/molmil-images/mine/5zhy) | Structural characterization of the HCoV-229E fusion core | Descriptor: | Spike glycoprotein | Authors: | Zhang, W, Zheng, Q, Yan, M, Chen, X, Yang, H, Zhou, W, Rao, Z. | Deposit date: | 2018-03-13 | Release date: | 2018-06-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.441 Å) | Cite: | Structural characterization of the HCoV-229E fusion core. Biochem. Biophys. Res. Commun., 497, 2018
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3AZK
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![BU of 3azk by Molmil](/molmil-images/mine/3azk) | Crystal Structure of Human Nucleosome Core Particle Containing H4K59Q mutation | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | Deposit date: | 2011-05-25 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry, 50, 2011
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1QPI
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![BU of 1qpi by Molmil](/molmil-images/mine/1qpi) | CRYSTAL STRUCTURE OF TETRACYCLINE REPRESSOR/OPERATOR COMPLEX | Descriptor: | DNA (5'-D(*CP*CP*TP*AP*TP*CP*AP*AP*TP*GP*AP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*TP*CP*AP*TP*TP*GP*AP*TP*AP*GP*G)-3'), IMIDAZOLE, ... | Authors: | Orth, P, Schnappinger, D, Hillen, W, Saenger, W, Hinrichs, W. | Deposit date: | 1999-05-25 | Release date: | 2000-02-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of gene regulation by the tetracycline inducible Tet repressor-operator system. Nat.Struct.Biol., 7, 2000
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6W3A
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![BU of 6w3a by Molmil](/molmil-images/mine/6w3a) | Structure of unphosphorylated IRE1 in complex with G-7658 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1, ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide | Authors: | Ferri, E, Wang, W, Joachim, R, Mortara, K. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.606 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6WAA
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![BU of 6waa by Molmil](/molmil-images/mine/6waa) | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ... | Authors: | Noeske, J, Shu, W, Bellamacina, C. | Deposit date: | 2020-03-24 | Release date: | 2020-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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5DF6
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![BU of 5df6 by Molmil](/molmil-images/mine/5df6) | Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip | Authors: | Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-08-26 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP. Biochem.J., 473, 2016
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5ZE2
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![BU of 5ze2 by Molmil](/molmil-images/mine/5ze2) | Hairpin Complex, RAG1/2-hairpin 12RSS/23RSS complex in 5mM Mn2+ for 2 min at 4'C | Descriptor: | 1,2-ETHANEDIOL, DNA (30-MER), DNA (31-MER), ... | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | Deposit date: | 2018-02-25 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018
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8Q79
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![BU of 8q79 by Molmil](/molmil-images/mine/8q79) | Structure of mBaoJin at pH 6.5 | Descriptor: | CHLORIDE ION, mBaoJin | Authors: | Samygina, V.R, Subach, O.M, Vlaskina, A.V, Nikolaeva, A.Y, Borshchevsky, V, Qin, W, Subach, F.V. | Deposit date: | 2023-08-15 | Release date: | 2023-12-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Bright and stable monomeric green fluorescent protein derived from StayGold. Nat.Methods, 21, 2024
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5ZHZ
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![BU of 5zhz by Molmil](/molmil-images/mine/5zhz) | Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis | Descriptor: | Probable endonuclease 4, SULFATE ION, ZINC ION | Authors: | Zhang, W, Xu, Y, Yan, M, Li, S, Wang, H, Yang, H, Zhou, W, Rao, Z. | Deposit date: | 2018-03-13 | Release date: | 2018-04-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis. Biochem. Biophys. Res. Commun., 498, 2018
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6W3C
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![BU of 6w3c by Molmil](/molmil-images/mine/6w3c) | Structure of phosphorylated apo IRE1 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H, Mortara, K, Ferri, E, Wang, W, Rudolph, J. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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2XC4
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![BU of 2xc4 by Molmil](/molmil-images/mine/2xc4) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | Deposit date: | 2010-04-16 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2ANM
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![BU of 2anm by Molmil](/molmil-images/mine/2anm) | Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor | Descriptor: | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID, thrombin | Authors: | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | Deposit date: | 2005-08-11 | Release date: | 2006-06-13 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety Bioorg.Med.Chem.Lett., 16, 2006
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2XC0
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![BU of 2xc0 by Molmil](/molmil-images/mine/2xc0) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | Deposit date: | 2010-04-15 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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