2J9F
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![BU of 2j9f by Molmil](/molmil-images/mine/2j9f) | Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase E1b | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ... | Authors: | Jun, L, Machius, M, Chuang, J.L, Wynn, R.M, Chuang, D.T. | Deposit date: | 2006-11-07 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The Two Active Sites in Human Branched-Chain Alpha- Keto Acid Dehydrogenase Operate Independently without an Obligatory Alternating-Site Mechanism. J.Biol.Chem., 282, 2007
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5NYH
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![BU of 5nyh by Molmil](/molmil-images/mine/5nyh) | Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative | Descriptor: | Heat shock protein HSP 90-alpha, ~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-3-pyrrolidin-1-ylcarbonyl-2~{H}-indazole-5-carboxamide | Authors: | Amaral, M. | Deposit date: | 2017-05-11 | Release date: | 2018-04-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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5OCI
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![BU of 5oci by Molmil](/molmil-images/mine/5oci) | Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide | Descriptor: | 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha | Authors: | Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Frech, M, Ecker, G.F. | Deposit date: | 2017-07-03 | Release date: | 2018-05-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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5BUI
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![BU of 5bui by Molmil](/molmil-images/mine/5bui) | ERK2 complexed with 2-pyridiyl tetrahydroazaindazole | Descriptor: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | Deposit date: | 2015-06-03 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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5AHS
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![BU of 5ahs by Molmil](/molmil-images/mine/5ahs) | 3-Sulfinopropionyl-Coenzyme A (3SP-CoA) desulfinase from Advenella mimgardefordensis DPN7T: holo crystal structure with the substrate analog succinyl-CoA | Descriptor: | ACYL-COA DEHYDROGENASE, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A. | Deposit date: | 2015-02-06 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold. Acta Crystallogr.,Sect.D, 71, 2015
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2BF1
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![BU of 2bf1 by Molmil](/molmil-images/mine/2bf1) | Structure of an unliganded and fully-glycosylated SIV gp120 envelope glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chen, B, Vogan, E.M, Gong, H, Skehel, J.J, Wiley, D.C, Harrison, S.C. | Deposit date: | 2004-12-02 | Release date: | 2005-02-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structure of an Unliganded Simian Immunodeficiency Virus Gp120 Core Nature, 433, 2005
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7CRH
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![BU of 7crh by Molmil](/molmil-images/mine/7crh) | Cryo-EM structure of SKF83959 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol, D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yan, W, Shao, Z.H. | Deposit date: | 2020-08-13 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKY
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![BU of 7cky by Molmil](/molmil-images/mine/7cky) | Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, Z. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKW
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![BU of 7ckw by Molmil](/molmil-images/mine/7ckw) | Cryo-EM structure of Fenoldopam bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, W. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKZ
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![BU of 7ckz by Molmil](/molmil-images/mine/7ckz) | Cryo-EM structure of Dopamine and LY3154207 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, Z. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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3W0D
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![BU of 3w0d by Molmil](/molmil-images/mine/3w0d) | Structure of elastase inhibitor AFUEI (cyrstal form I) | Descriptor: | Elastase inhibitor AFUEI | Authors: | Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M. | Deposit date: | 2012-10-29 | Release date: | 2013-05-15 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus J.Biol.Chem., 288, 2013
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3W0E
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![BU of 3w0e by Molmil](/molmil-images/mine/3w0e) | Structure of elastase inhibitor AFUEI (crystal form II) | Descriptor: | Elastase inhibitor AFUEI | Authors: | Imada, K, Sakuma, M, Okumura, Y, Ogawa, K, Nikai, T, Homma, M. | Deposit date: | 2012-10-29 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray Structure Analysis and Characterization of AFUEI, an Elastase Inhibitor from Aspergillus fumigatus J.Biol.Chem., 288, 2013
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4IS8
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![BU of 4is8 by Molmil](/molmil-images/mine/4is8) | |
2LK6
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![BU of 2lk6 by Molmil](/molmil-images/mine/2lk6) | NMR determination of the global structure of the Cd-113 derivative of desulforedoxin | Descriptor: | CADMIUM ION, Desulforedoxin | Authors: | Goodfellow, B.J, Rusnak, F, Moura, I, Domke, T, Moura, J.J.G. | Deposit date: | 2011-10-07 | Release date: | 2012-01-25 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR determination of the global structure of the 113Cd derivative of desulforedoxin: investigation of the hydrogen bonding pattern at the metal center. Protein Sci., 7, 1998
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4A4J
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![BU of 4a4j by Molmil](/molmil-images/mine/4a4j) | Crosstalk between Cu(I) and Zn(II) homeostasis | Descriptor: | COPPER-TRANSPORTING ATPASE PACS, ZINC ION | Authors: | Badarau, A, Basle, A, Firbank, S.J, Denninson, C. | Deposit date: | 2011-10-14 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Investigating the Role of Zinc and Copper Binding Motifs of Trafficking Sites in the Cyanobacterium Synechocystis Pcc 6803. Biochemistry, 52, 2013
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5HZX
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![BU of 5hzx by Molmil](/molmil-images/mine/5hzx) | Crystal structure of zebrafish MTH1 in complex with TH588 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Gustafsson, R, Brautigam, L, Pudelko, L, Jemth, A.-S, Gad, H, Karsten, S, Carreras-Puigvert, J, Homan, E, Berndt, C, Berglund, U.W, Helleday, T, Stenmark, P. | Deposit date: | 2016-02-03 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition. Cancer Res., 76, 2016
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1C48
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![BU of 1c48 by Molmil](/molmil-images/mine/1c48) | MUTATED SHIGA-LIKE TOXIN B SUBUNIT (G62T) | Descriptor: | PROTEIN (SHIGA-LIKE TOXIN I B SUBUNIT) | Authors: | Ling, H, Bast, D, Brunton, J.L, Read, R.J. | Deposit date: | 1999-08-11 | Release date: | 2000-08-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of the Primary Receptor Binding Site of Shiga-Like Toxin B Subunits: Structures of Mutated Shiga-Like Toxin I B-Pentamer with and without Bound Carbohydrate To be Published
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1C4Q
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![BU of 1c4q by Molmil](/molmil-images/mine/1c4q) | |
7N63
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![BU of 7n63 by Molmil](/molmil-images/mine/7n63) | X-ray structure of HCAN_0200, an aminotransferase from Helicobacter canadensis in complex with its external aldimine | Descriptor: | (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Griffiths, W.A, Heisdorf, C.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-06-07 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis. Protein Sci., 30, 2021
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7N7B
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![BU of 7n7b by Molmil](/molmil-images/mine/7n7b) | crystal structure of the N-formyltrasferase HCAN_0200 from Helicobacter canadensis on complex with folinic acid and dTDP-3-aminofucose | Descriptor: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Heisdorf, C.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-06-10 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis. Protein Sci., 30, 2021
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3QG7
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![BU of 3qg7 by Molmil](/molmil-images/mine/3qg7) | Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody | Descriptor: | AP4-24H11 Antibody Heavy Chain, AP4-24H11 Antibody Light Chain, HEXAETHYLENE GLYCOL, ... | Authors: | Kirchdoerfer, R.K, Kaufmann, G.F, Janda, J.D, Wilson, I.A. | Deposit date: | 2011-01-24 | Release date: | 2011-03-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody. J.Biol.Chem., 286, 2011
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2IYK
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![BU of 2iyk by Molmil](/molmil-images/mine/2iyk) | Crystal structure of the UPF2-interacting domain of nonsense mediated mRNA decay factor UPF1 | Descriptor: | REGULATOR OF NONSENSE TRANSCRIPTS 1, ZINC ION | Authors: | Kadlec, J, Guilligay, D, Ravelli, R.B, Cusack, S. | Deposit date: | 2006-07-18 | Release date: | 2006-08-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of the Upf2-Interacting Domain of Nonsense-Mediated Mrna Decay Factor Upf1. RNA, 12, 2006
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4A48
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![BU of 4a48 by Molmil](/molmil-images/mine/4a48) | Crosstalk between Cu(I) and Zn(II) homeostasis | Descriptor: | MAGNESIUM ION, PROBABLE COPPER-TRANSPORTING ATPASE PACS, ZINC ION | Authors: | Badarau, A, Basle, A, Firbank, S.J, Denninson, C. | Deposit date: | 2011-10-07 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Investigating the Role of Zinc and Copper Binding Motifs of Trafficking Sites in the Cyanobacterium Synechocystis Pcc 6803. Biochemistry, 52, 2013
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3UFL
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![BU of 3ufl by Molmil](/molmil-images/mine/3ufl) | Discovery of Pyrrolidine-based b-Secretase Inhibitors: Lead Advancement through Conformational Design for Maintenance of Ligand Binding Efficiency | Descriptor: | (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone, Beta-secretase 1, GLYCEROL, ... | Authors: | Allison, T, Munshi, S, Soisson, S.M. | Deposit date: | 2011-11-01 | Release date: | 2012-01-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of pyrrolidine-based beta-secretase inhibitors: Lead advancement through conformational design for maintenance of ligand binding efficiency. Bioorg.Med.Chem.Lett., 22, 2012
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1RAE
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![BU of 1rae by Molmil](/molmil-images/mine/1rae) | CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Kosman, R.P, Gouaux, J.E, Lipscomb, W.N. | Deposit date: | 1992-08-14 | Release date: | 1994-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of CTP-ligated T state aspartate transcarbamoylase at 2.5 A resolution: implications for ATCase mutants and the mechanism of negative cooperativity. Proteins, 15, 1993
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