5H1L
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![BU of 5h1l by Molmil](/molmil-images/mine/5h1l) | Crystal structure of WD40 repeat domains of Gemin5 in complex with 7-nt U4 snRNA fragment | Descriptor: | GLYCEROL, Gem-associated protein 5, U4 snRNA (5'-R(*AP*UP*UP*UP*UP*UP*G)-3') | Authors: | Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M. | Deposit date: | 2016-10-10 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5 Genes Dev., 30, 2016
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5H1M
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![BU of 5h1m by Molmil](/molmil-images/mine/5h1m) | Crystal structure of WD40 repeat domains of Gemin5 in complex with M7G | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Gem-associated protein 5 | Authors: | Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M. | Deposit date: | 2016-10-10 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.492 Å) | Cite: | Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5 Genes Dev., 30, 2016
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5H1J
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![BU of 5h1j by Molmil](/molmil-images/mine/5h1j) | Crystal structure of WD40 repeat domains of Gemin5 | Descriptor: | Gem-associated protein 5 | Authors: | Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M. | Deposit date: | 2016-10-10 | Release date: | 2016-11-23 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5 Genes Dev., 30, 2016
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6LXD
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![BU of 6lxd by Molmil](/molmil-images/mine/6lxd) | Pri-miRNA bound DROSHA-DGCR8 complex | Descriptor: | Microprocessor complex subunit DGCR8, RNA (102-mer), Ribonuclease 3, ... | Authors: | Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M. | Deposit date: | 2020-02-10 | Release date: | 2020-04-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural Basis for pri-miRNA Recognition by Drosha. Mol.Cell, 78, 2020
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6LXE
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![BU of 6lxe by Molmil](/molmil-images/mine/6lxe) | DROSHA-DGCR8 complex | Descriptor: | Microprocessor complex subunit DGCR8, Ribonuclease 3, ZINC ION | Authors: | Jin, W, Wang, J, Liu, C.P, Wang, H.W, Xu, R.M. | Deposit date: | 2020-02-10 | Release date: | 2020-04-15 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural Basis for pri-miRNA Recognition by Drosha. Mol.Cell, 78, 2020
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1TV0
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![BU of 1tv0 by Molmil](/molmil-images/mine/1tv0) | Solution structure of cryptdin-4, the most potent alpha-defensin from mouse Paneth cells | Descriptor: | Cryptdin-4 | Authors: | Jing, W, Hunter, H.N, Tanabe, H, Ouellette, A.J, Vogel, H.J. | Deposit date: | 2004-06-25 | Release date: | 2005-01-04 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution Structure of Cryptdin-4, a Mouse Paneth Cell alpha-Defensin. Biochemistry, 43, 2004
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5H1K
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![BU of 5h1k by Molmil](/molmil-images/mine/5h1k) | Crystal structure of WD40 repeat domains of Gemin5 in complex with 13-nt U4 snRNA fragment | Descriptor: | Gem-associated protein 5, U4 snRNA (5'-R(*GP*CP*AP*AP*UP*UP*UP*UP*UP*GP*AP*CP*A)-3') | Authors: | Wang, Y, Jin, W, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M. | Deposit date: | 2016-10-10 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5 Genes Dev., 30, 2016
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5GS8
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![BU of 5gs8 by Molmil](/molmil-images/mine/5gs8) | Crystal structure of TLA-3 extended-spectrum beta-lactamase | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2016-08-14 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
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5GWA
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![BU of 5gwa by Molmil](/molmil-images/mine/5gwa) | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2016-09-09 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
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5X5G
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![BU of 5x5g by Molmil](/molmil-images/mine/5x5g) | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with OP0595 | Descriptor: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, SODIUM ION, ... | Authors: | Wachino, J, Jin, W, Arakawa, Y. | Deposit date: | 2017-02-15 | Release date: | 2017-07-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
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6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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1LIR
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![BU of 1lir by Molmil](/molmil-images/mine/1lir) | LQ2 FROM LEIURUS QUINQUESTRIATUS, NMR, 22 STRUCTURES | Descriptor: | LQ2 | Authors: | Renisio, J.G, Lu, Z, Blanc, E, Jin, W, Lewis, J.H, Bornet, O, Darbon, H. | Deposit date: | 1998-04-02 | Release date: | 1998-06-17 | Last modified: | 2019-12-25 | Method: | SOLUTION NMR | Cite: | Solution structure of potassium channel-inhibiting scorpion toxin Lq2. Proteins, 34, 1999
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2DOO
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![BU of 2doo by Molmil](/molmil-images/mine/2doo) | The structure of IMP-1 complexed with the detecting reagent (DansylC4SH) by a fluorescent probe | Descriptor: | BETA-LACTAMASE IMP-1, N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE, ZINC ION | Authors: | Kurosaki, H, Yamaguchi, Y, Yasuzawa, H, Jin, W, Yamagata, Y, Arakawa, Y. | Deposit date: | 2006-05-01 | Release date: | 2006-11-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Probing, inhibition, and crystallographic characterization of metallo-beta-lactamase (IMP-1) with fluorescent agents containing dansyl and thiol groups Chemmedchem, 1, 2006
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4QYY
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![BU of 4qyy by Molmil](/molmil-images/mine/4qyy) | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | Descriptor: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | Deposit date: | 2014-07-26 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
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2JNR
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![BU of 2jnr by Molmil](/molmil-images/mine/2jnr) | Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide | Descriptor: | ENV polyprotein, VIR165 | Authors: | Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F. | Deposit date: | 2007-02-01 | Release date: | 2007-05-08 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide. Cell(Cambridge,Mass.), 129, 2007
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2RTU
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![BU of 2rtu by Molmil](/molmil-images/mine/2rtu) | Solution structure of oxidized human HMGB1 A box | Descriptor: | High mobility group protein B1 | Authors: | Jing, W, Tochio, N, Tate, S. | Deposit date: | 2013-09-12 | Release date: | 2014-03-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Redox-sensitive structural change in the A-domain of HMGB1 and its implication for the binding to cisplatin modified DNA. Biochem.Biophys.Res.Commun., 441, 2013
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2RUQ
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![BU of 2ruq by Molmil](/molmil-images/mine/2ruq) | solution structure of human Pin1 PPIase mutant C113A | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Jing, W, Tochio, N, Tate, S. | Deposit date: | 2015-01-20 | Release date: | 2016-01-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase Biochemistry, 54, 2015
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2RUR
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![BU of 2rur by Molmil](/molmil-images/mine/2rur) | Solution structure of Human Pin1 PPIase C113S mutant | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Jing, W, Tochio, N, Tate, S. | Deposit date: | 2015-01-20 | Release date: | 2016-01-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase Biochemistry, 54, 2015
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2YZ3
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![BU of 2yz3 by Molmil](/molmil-images/mine/2yz3) | Crystallographic Investigation of Inhibition Mode of the VIM-2 Metallo-beta-lactamase from Pseudomonas aeruginosa with Mercaptocarboxylate Inhibitor | Descriptor: | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID, Metallo-beta-lactamase, SULFATE ION, ... | Authors: | Yamaguchi, Y, Yamagata, Y, Arakawa, Y, Kurosaki, H. | Deposit date: | 2007-05-02 | Release date: | 2008-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic investigation of the inhibition mode of a VIM-2 metallo-beta-lactamase from Pseudomonas aeruginosa by a mercaptocarboxylate inhibitor. J.Med.Chem., 50, 2007
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6K4X
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![BU of 6k4x by Molmil](/molmil-images/mine/6k4x) | Crystal structure of SMB-1 metallo-beta-lactamase in a complex with ASB | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-azanyl-2-sulfanyl-benzoic acid, Metallo-beta-lactamase, ... | Authors: | Wachino, J. | Deposit date: | 2019-05-27 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses. Antimicrob.Agents Chemother., 63, 2019
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6KZL
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![BU of 6kzl by Molmil](/molmil-images/mine/6kzl) | Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor X2 | Descriptor: | 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase, SULFATE ION, ... | Authors: | Wachino, J. | Deposit date: | 2019-09-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.763 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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6KXO
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![BU of 6kxo by Molmil](/molmil-images/mine/6kxo) | Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor NO9 | Descriptor: | 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | Authors: | Wachino, J. | Deposit date: | 2019-09-12 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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3HYF
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![BU of 3hyf by Molmil](/molmil-images/mine/3hyf) | Crystal structure of HIV-1 RNase H p15 with engineered E. coli loop and active site inhibitor | Descriptor: | 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid, ACETATE ION, GLYCEROL, ... | Authors: | Lansdon, E.B, Kirschberg, T.A. | Deposit date: | 2009-06-22 | Release date: | 2009-10-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information. J.Med.Chem., 52, 2009
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6KZN
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![BU of 6kzn by Molmil](/molmil-images/mine/6kzn) | Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor X2 | Descriptor: | 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | Authors: | Wachino, J. | Deposit date: | 2019-09-24 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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6LBL
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![BU of 6lbl by Molmil](/molmil-images/mine/6lbl) | Crystal structure of IMP-1 metallo-beta-lactamase in complex with NO9 inhibitor | Descriptor: | 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Metallo-beta-lactamase type 2, SODIUM ION, ... | Authors: | Wachino, J. | Deposit date: | 2019-11-14 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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