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8BIN
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BU of 8bin by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
Authors:Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2022-11-02
Release date:2022-11-23
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
8B1L
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BU of 8b1l by Molmil
NMR structure of the antimicrobial peptide Of-Pis1 in DPC micelles
Descriptor: Piscidin
Authors:Alaimo, N, Bischetti, M, Gallo, M, Cicero, D.O.
Deposit date:2022-09-10
Release date:2022-11-23
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural insights on the selective interaction of the histidine-rich piscidin antimicrobial peptide Of-Pis1 with membranes.
Biochim Biophys Acta Biomembr, 1865, 2022
1TX7
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BU of 1tx7 by Molmil
Bovine Trypsin complexed with p-amidinophenylmethylphosphinic acid (AMPA)
Descriptor: (4-CARBAMIMIDOYLPHENYL)-METHYL-PHOSPHINIC ACID, CALCIUM ION, Trypsinogen
Authors:Cui, J, Marankan, F, Fu, W, Crich, D, Mesecar, A, Johnson, M.E.
Deposit date:2004-07-02
Release date:2005-09-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An oxyanion-hole selective serine protease inhibitor in complex with trypsin.
Bioorg.Med.Chem., 10, 2002
8B8M
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BU of 8b8m by Molmil
Cryo-EM structure of Ca2+-bound mTMEM16F N562A mutant in Digitonin open/closed
Descriptor: Anoctamin-6, CALCIUM ION
Authors:Arndt, M, Alvadia, C, Straub, M.S, Clerico-Mosina, V, Paulino, C, Dutzler, R.
Deposit date:2022-10-04
Release date:2022-11-16
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural basis for the activation of the lipid scramblase TMEM16F.
Nat Commun, 13, 2022
1TXE
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BU of 1txe by Molmil
Solution structure of the active-centre mutant Ile14Ala of the histidine-containing phosphocarrier protein (HPr) from Staphylococcus carnosus
Descriptor: Phosphocarrier protein HPr
Authors:Moeglich, A, Koch, B, Hengstenberg, W, Brunner, E, Kalbitzer, H.R, Structural Proteomics in Europe (SPINE)
Deposit date:2004-07-04
Release date:2005-03-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the active-centre mutant I14A of the histidine-containing phosphocarrier protein from Staphylococcus carnosus
Eur.J.Biochem., 271, 2004
3SJH
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BU of 3sjh by Molmil
Crystal Structure of a chimera containing the N-terminal domain (residues 8-29) of drosophila Ciboulot and the C-terminal domain (residues 18-44) of bovine Thymosin-beta4, bound to G-actin-ATP-Latrunculin A
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Renault, L, Husson, C, Carlier, M.F, Didry, D.
Deposit date:2011-06-21
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:How a single residue in individual beta-thymosin/WH2 domains controls their functions in actin assembly
Embo J., 31, 2012
3SIE
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BU of 3sie by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase
Authors:Chen, T.T, Chen, T, Xu, Y.C.
Deposit date:2011-06-17
Release date:2011-08-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.
J.Med.Chem., 54, 2011
8BFM
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BU of 8bfm by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331
Descriptor: Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, pyrazolo[5,1-a]phthalazin-6-amine
Authors:Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-26
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
1TXQ
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BU of 1txq by Molmil
Crystal structure of the EB1 C-terminal domain complexed with the CAP-Gly domain of p150Glued
Descriptor: Dynactin 1, Microtubule-associated protein RP/EB family member 1
Authors:Hayashi, I, Ikura, M.
Deposit date:2004-07-06
Release date:2005-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for the Activation of Microtubule Assembly by the EB1 and p150(Glued) Complex
Mol.Cell, 19, 2005
8AYS
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BU of 8ays by Molmil
SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol
Descriptor: 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F.
Deposit date:2022-09-03
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
1U5O
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BU of 1u5o by Molmil
Structure of the D23A mutant of the nuclear transport carrier NTF2
Descriptor: Nuclear transport factor 2
Authors:Cushman, I, Bowman, B.R, Sowa, M.E, Lichtarge, O, Quiocho, F.A, Moore, M.S.
Deposit date:2004-07-28
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computational and biochemical identification of a nuclear pore complex binding site on the nuclear transport carrier NTF2.
J.Mol.Biol., 344, 2004
8B38
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BU of 8b38 by Molmil
Chaetoceros socialis forma radians RNA virus 1 full capsid atomic model
Descriptor: Structural polyprotein
Authors:Wang, H, Okamoto, K, Munke, A.
Deposit date:2022-09-16
Release date:2022-11-23
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Insights into Common and Host-Specific Receptor-Binding Mechanisms in Algal Picorna-like Viruses.
Viruses, 14, 2022
1U5X
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BU of 1u5x by Molmil
Crystal structure of murine APRIL at pH 5.0
Descriptor: Tumor necrosis factor ligand superfamily member 13
Authors:Wallweber, H.J, Compaan, D.M, Starovasnik, M.A, Hymowitz, S.G.
Deposit date:2004-07-28
Release date:2004-10-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of A Proliferation-inducing Ligand, APRIL.
J.Mol.Biol., 343, 2004
3SK4
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BU of 3sk4 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS D21N/V23E at cryogenic temperature
Descriptor: THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2011-06-22
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS D21N/V23E at cryogenic temperature
To be Published
1U65
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BU of 1u65 by Molmil
Ache W. CPT-11
Descriptor: (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Harel, M, Hyatt, J.L, Brumshtein, B, Morton, C.L, Wadkins, R.W, Silman, I, Sussman, J.L, Potter, P.M, Israel Structural Proteomics Center (ISPC)
Deposit date:2004-07-29
Release date:2005-07-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:The crystal structure of the complex of the anticancer prodrug 7-ethyl-10-[4-(1-piperidino)-1-piperidino]-carbonyloxycamptothecin (CPT-11) with Torpedo californica acetylcholinesterase provides a molecular explanation for its cholinergic action
Mol.Pharmacol., 67, 2005
8AZ8
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BU of 8az8 by Molmil
SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol
Descriptor: 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F.
Deposit date:2022-09-05
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
1TXZ
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BU of 1txz by Molmil
Crystal structure of yeast ymx7, an ADP-ribose-1''-monophosphatase, complexed with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Hypothetical 32.1 kDa protein in ADH3-RCA1 intergenic region, ...
Authors:Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-07-06
Release date:2004-11-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and mechanism of ADP-ribose-1''-monophosphatase (Appr-1''-pase), a ubiquitous cellular processing enzyme.
Protein Sci., 14, 2005
1U6J
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BU of 1u6j by Molmil
The Structure of native coenzyme F420-dependent methylenetetrahydromethanopterin dehydrogenase at 2.4A resolution
Descriptor: F420-dependent methylenetetrahydromethanopterin dehydrogenase, MAGNESIUM ION
Authors:Warkentin, E, Hagemeier, C.H, Shima, S, Thauer, R.K, Ermler, U.
Deposit date:2004-07-30
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of F420-dependent methylenetetrahydromethanopterin dehydrogenase: a crystallographic 'superstructure' of the selenomethionine-labelled protein crystal structure.
Acta Crystallogr.,Sect.D, 61, 2005
8B3J
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BU of 8b3j by Molmil
Chaetoceros socialis forma radians RNA virus 1 empty capsid atomic model
Descriptor: Structural polyprotein
Authors:Wang, H, Okamoto, K, Munke, A.
Deposit date:2022-09-16
Release date:2022-11-23
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Insights into Common and Host-Specific Receptor-Binding Mechanisms in Algal Picorna-like Viruses.
Viruses, 14, 2022
8BIO
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BU of 8bio by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MRAL5
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2
Authors:Zhubi, R, Rak, M, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2022-11-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
1U87
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BU of 1u87 by Molmil
Crystal Structure Of The 26 Kda Glutathione S-Transferase Y7F mutant From Schistosoma Japonicum Complexed With Glutathione
Descriptor: GLUTATHIONE, Glutathione S-Transferase 26 kDa
Authors:Smith, A.W, Camara-Artigas, A.
Deposit date:2004-08-05
Release date:2005-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystallographic and Thermodynamic Analysis of the Binding of S-Octylglutathione to the Tyr 7 to Phe Mutant of Glutathione S-Transferase from Schistosoma japonicum(,)
Biochemistry, 44, 2005
1U8G
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BU of 1u8g by Molmil
Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2
Descriptor: PROTEASE RETROPEPSIN, peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2
Authors:Brynda, J, Rezacova, P, Fabry, M, Horejsi, M, Hradilek, M, Soucek, R, Stouracova, R, Konvalinka, J, Sedlacek, J.
Deposit date:2004-08-06
Release date:2004-11-02
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex.
Acta Crystallogr.,Sect.D, 60, 2004
8B8D
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BU of 8b8d by Molmil
multimerization domain of Gaboon Viper Virus 1
Descriptor: Phosphoprotein
Authors:Tarbouriech, N, Legrand, P, Bouhris, J.M, Horie, M, Tomonaga, K, Crepin, T.
Deposit date:2022-10-04
Release date:2022-11-23
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Borna Disease Virus 1 Phosphoprotein Forms a Tetramer and Interacts with Host Factors Involved in DNA Double-Strand Break Repair and mRNA Processing.
Viruses, 14, 2022
1TYR
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BU of 1tyr by Molmil
TRANSTHYRETIN COMPLEX WITH RETINOIC ACID
Descriptor: (9cis)-retinoic acid, TRANSTHYRETIN
Authors:Zanotti, G, D'Acunto, M.R, Malpeli, G, Folli, C, Berni, R.
Deposit date:1995-05-12
Release date:1995-09-15
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the transthyretin--retinoic-acid complex
Eur.J.Biochem., 234, 1995
8BA5
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BU of 8ba5 by Molmil
Crystal structure of the DNMT3A ADD domain
Descriptor: 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, MAGNESIUM ION, ...
Authors:Linhard, V, Kunert, S, Wollenhaupt, J, Broehm, A, Schwalbe, H, Jeltsch, A.
Deposit date:2022-10-11
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site.
Protein Sci., 32, 2023

238582

數據於2025-07-09公開中

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