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6D8S
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BU of 6d8s by Molmil
NMR solution structure of tamapin, mutant K27E
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-26
Release date:2019-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
6D93
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BU of 6d93 by Molmil
NMR solution structure of tamapin, mutant Y31A
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G.A, Mayorga Flores, M.
Deposit date:2018-04-27
Release date:2019-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
4ZRB
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BU of 4zrb by Molmil
Crystal Structure of Hypothetical Thioesterase Protein SP_1851 with Coenzyme A from Streptococcus pneumoniae TIGR4
Descriptor: COENZYME A, Hypothetical Thioesterase Protein SP_1851
Authors:Khandokar, Y.B, Srivastava, P, Forwood, J.K.
Deposit date:2015-05-12
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Characterization of the PaaI Thioesterase from Streptococcus pneumoniae Reveals a Dual Specificity for Phenylacetyl-CoA and Medium-chain Fatty Acyl-CoAs and a Novel CoA-induced Fit Mechanism.
J.Biol.Chem., 291, 2016
7MPZ
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BU of 7mpz by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9
Descriptor: CRISPR-associated endonuclease Cas9
Authors:D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
Deposit date:2021-05-05
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and dynamic insights into the HNH nuclease of divergent Cas9 species.
J.Struct.Biol., 214, 2021
5A07
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BU of 5a07 by Molmil
X-ray structure of the mannosyltransferase Ktr4p from S. cerevisiae in complex with GDP
Descriptor: ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Possner, D.D.D, Guy, J.E.
Deposit date:2015-04-17
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Glycosyltransferase Ktr4P from Saccharomyces Cerevisiae
Plos One, 10, 2015
4ZTY
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BU of 4zty by Molmil
Neurospora crassa cobalamin-independent methionine synthase complexed with Cd2+
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, Cobalamin-Independent Methionine synthase, ...
Authors:Wheatley, R.W, Ng, K.K, Kapoor, M.
Deposit date:2015-05-15
Release date:2015-12-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fungal cobalamin-independent methionine synthase: Insights from the model organism, Neurospora crassa.
Arch.Biochem.Biophys., 590, 2015
7MWI
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BU of 7mwi by Molmil
Crystal structure of human BAZ2A
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
7MQY
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BU of 7mqy by Molmil
Zebrafish CNTN4 APLP2 complex
Descriptor: Fusion protein of CNTN4 and APLP2
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7M5C
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BU of 7m5c by Molmil
Crystal Structure of human BAK in complex with WT BAK BH3 peptide
Descriptor: Bcl-2 homologous antagonist/killer, COPPER (II) ION, SULFATE ION
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
4ZRW
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BU of 4zrw by Molmil
Structure of cow mincle complexed with trehalose
Descriptor: CALCIUM ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, mincle protein
Authors:Feinberg, H, Rambaruth, N.D.S, Taylor, M.E, Drickamer, K, Weis, W.I.
Deposit date:2015-05-12
Release date:2016-05-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
7MRO
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BU of 7mro by Molmil
Zebrafish CNTN4 FN1-FN3 domains
Descriptor: Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRZ
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BU of 7mrz by Molmil
Structure of GDF11 bound to fused ActRIIB-ECD and Alk4-ECD with Anti-ActRIIB Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B,Activin receptor type-1B, Fab Heavy Chain, ...
Authors:Goebel, E.J, Kattamuri, C, Gipson, G.R, Thompson, T.B.
Deposit date:2021-05-10
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors.
Iscience, 25, 2022
7MRS
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BU of 7mrs by Molmil
Zebrafish CNTN4 APPb complex
Descriptor: Amyloid-beta A4 protein, Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-09
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRM
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BU of 7mrm by Molmil
Chicken CNTN3 APP complex
Descriptor: Fusion protein of Chicken CNTN3 FN1-FN2 domains and Amyloid-beta A4 protein,Amyloid-beta A4 protein, SULFATE ION
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRK
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BU of 7mrk by Molmil
Chicken CNTN4 APP complex
Descriptor: Amyloid-beta A4 protein, Contactin-4, DI(HYDROXYETHYL)ETHER
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MWT
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BU of 7mwt by Molmil
Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with 1,1-Cyclobutanedicarboxylate
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Org.Biomol.Chem., 20, 2022
7MRN
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BU of 7mrn by Molmil
Mouse CNTN5 APP complex
Descriptor: Contactin-5, N-APP
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
4ZTJ
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BU of 4ztj by Molmil
Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor
Descriptor: (1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Klein, D.J, Patel, S.
Deposit date:2015-05-14
Release date:2015-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015
7MWU
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BU of 7mwu by Molmil
Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with cyclobutanecarboxylic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Org.Biomol.Chem., 20, 2022
4ZV7
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BU of 4zv7 by Molmil
Crystal structure of hexagonal form of lipase B from Candida antarctica
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B
Authors:Strzelczyk, P, Blaszczyk, J, Bujacz, G.
Deposit date:2015-05-18
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal and molecular structure of hexagonal form of lipase B from Candida antarctica.
Acta Biochim.Pol., 63, 2016
7MLP
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BU of 7mlp by Molmil
Crystal structure of ricin A chain in complex with 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid, Ricin, ...
Authors:Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
Deposit date:2021-04-28
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
7MP3
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BU of 7mp3 by Molmil
Grb7-SH2 domain in complex with bicyclic peptide B8
Descriptor: Growth factor receptor-bound protein 7, bicyclic peptide B8
Authors:Colson, R, Wilce, M.C.J, Wilce, J.A.
Deposit date:2021-05-04
Release date:2022-02-02
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Enhancing the Bioactivity of Bicyclic Peptides Targeted to Grb7-SH2 by Restoring Cell Permeability.
Biomedicines, 10, 2022
4ZW6
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BU of 4zw6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016

223790

数据于2024-08-14公开中

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