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5MTM
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BU of 5mtm by Molmil
Monobody Mb(Lck_3) bound to Lck-SH2 domain
Descriptor: Monobody Mb(Lck_3), Tyrosine-protein kinase Lck, ZINC ION
Authors:Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O.
Deposit date:2017-01-10
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies.
J. Mol. Biol., 429, 2017
5MXD
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BU of 5mxd by Molmil
BACE-1 IN COMPLEX WITH LIGAND 32397778
Descriptor: Beta-secretase 1, CHLORIDE ION, ~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine
Authors:Alexander, R.
Deposit date:2017-01-23
Release date:2018-02-14
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Human Beta Secretase 1 In Complex With Ligand 32397778
to be published
5MYA
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BU of 5mya by Molmil
Homodimerization of Tie2 Fibronectin-like domains 1-3 in space group C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ...
Authors:Leppanen, V.-M, Saharinen, P, Alitalo, K.
Deposit date:2017-01-26
Release date:2017-04-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MBN
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BU of 5mbn by Molmil
REFINEMENT OF MYOGLOBIN AND CYTOCHROME C
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Takano, T.
Deposit date:1988-01-14
Release date:1989-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refinement of Myoglobin and Cytochrome C
Methods and Applications in Crystallographic Computing, 1984
8KGZ
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BU of 8kgz by Molmil
Crystal structure of single-chain Fv antibody against antigen peptide from SARS-CoV2 S-spike protein
Descriptor: Thioredoxin 1,scFv
Authors:Ma, Q.Q, Zhang, B.L, Cheng, X.Y, Huang, Y.Q, Su, Z.D.
Deposit date:2023-08-20
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of sheep scFv antibody against an antigen peptide of SARS-CoV2 S-spike protein
To Be Published
8JNC
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BU of 8jnc by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin
Descriptor: (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
5M8I
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BU of 5m8i by Molmil
Solution structure of CUG-BP2 RRM3 in complex with 5'-UUUAA-3' RNA
Descriptor: CUGBP Elav-like family member 2, RNA (5'-R(*UP*UP*UP*AP*A)-3')
Authors:Diarra dit Konte, N, Damberger, F.F, Allain, F.H.T.
Deposit date:2016-10-28
Release date:2017-10-11
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Aromatic side-chain conformational switch on the surface of the RNA Recognition Motif enables RNA discrimination.
Nat Commun, 8, 2017
8JOO
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BU of 8joo by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin
Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-08
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
5MBA
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BU of 5mba by Molmil
BINDING MODE OF AZIDE TO FERRIC APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.9 ANGSTROMS RESOLUTION
Descriptor: AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M.
Deposit date:1991-01-14
Release date:1992-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding mode of azide to ferric Aplysia limacina myoglobin. Crystallographic analysis at 1.9 A resolution.
J.Mol.Recog., 4, 1991
5MPL
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BU of 5mpl by Molmil
hnRNP A1 RRM2 in complex with 5'-UCAGUU-3' RNA
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, RNA UCAGUU
Authors:Barraud, P, Allain, F.H.-T.
Deposit date:2016-12-16
Release date:2017-07-05
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Tandem hnRNP A1 RNA recognition motifs act in concert to repress the splicing of survival motor neuron exon 7.
Elife, 6, 2017
8JUA
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BU of 8jua by Molmil
Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin
Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-26
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.00001121 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
5MWQ
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BU of 5mwq by Molmil
Biosynthetic engineered A21K-B31K-B32R human insulin monomer structure in water/acetonitrile solution
Descriptor: Insulin
Authors:Bocian, W, Kozerski, L.
Deposit date:2017-01-19
Release date:2018-02-14
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Lysine mis-incorporation at asparagine position during recombinant proteins production in E. coli
To Be Published
8JNO
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BU of 8jno by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF
Descriptor: (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-06
Release date:2023-11-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
5MYY
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BU of 5myy by Molmil
Hen Egg-White Lysozyme (HEWL) cocrystallized in the presence of Cadmium sulphate
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Panneerselvam, S, Burkhardt, A, Meents, A.
Deposit date:2017-01-30
Release date:2017-07-12
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Rapid cadmium SAD phasing at the standard wavelength (1 angstrom ).
Acta Crystallogr D Struct Biol, 73, 2017
5LYC
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BU of 5lyc by Molmil
Cytochrome c in complex with phosphonato-calix[6]arene
Descriptor: Cytochrome c iso-1, HEME C, SULFATE ION, ...
Authors:Rennie, M.L, Crowley, P.B.
Deposit date:2016-09-27
Release date:2017-05-10
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein Dimerization on a Phosphonated Calix[6]arene Disc.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LWT
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BU of 5lwt by Molmil
Endothiapepsin in complex with a methoxylated derivative of fragment 177
Descriptor: 4-methoxy-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LVG
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BU of 5lvg by Molmil
Hen Egg White Lysozyme co-crystallized with cis-Ru(DMSO)4Cl2
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Kurpiewska, K, Halajko, P, Lewinski, K.
Deposit date:2016-09-14
Release date:2016-09-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
5LVK
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BU of 5lvk by Molmil
Human Lysozyme co-crystallized with [H2Ind][trans-RuCl4(DMSO)(HInd)]
Descriptor: CHLORIDE ION, Lysozyme C, NITRATE ION, ...
Authors:Kurpiewska, K, Szura, A, Lewinski, K.
Deposit date:2016-09-14
Release date:2016-09-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.491 Å)
Cite:Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme
To Be Published
5LWL
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BU of 5lwl by Molmil
MaeR D54A mutant response regulator bound to sulfate
Descriptor: SULFATE ION, Transcriptional regulatory protein
Authors:Miguel-Romero, L, Casino, P, Landete, J.M, Monedero, V, Zuniga, M, Marina, A.
Deposit date:2016-09-18
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The malate sensing two-component system MaeKR is a non-canonical class of sensory complex for C4-dicarboxylates.
Sci Rep, 7, 2017
5MB6
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BU of 5mb6 by Molmil
Cocktail experiment D: fragments 308 and 333 at 50mM concentration
Descriptor: Endothiapepsin, GLYCEROL, SULFATE ION
Authors:Radeva, N, Koester, H, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Comparison of cocktail versus single soaking experiments
To Be Published
8JUV
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BU of 8juv by Molmil
Crystal structure of a receptor like kinase with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, LRR receptor-like serine/threonine-protein kinase FLS2, MAGNESIUM ION
Authors:Ming, Z, Zhao, Q.
Deposit date:2023-06-27
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:An active State Formation Mechanism of Receptor Kinase in Plant
Plant Commun., 2024
5MCQ
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BU of 5mcq by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR
Descriptor: 1,2-ETHANEDIOL, BACE-1 ACTIVE AND EXOSITE BINDING INHIBITOR, Beta-secretase 1
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-10
Release date:2017-09-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
5MHH
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BU of 5mhh by Molmil
Crystal structure of engineered human lipocalin 2 carrying p-boronophenylalanine at position 36
Descriptor: Neutrophil gelatinase-associated lipocalin, SULFATE ION
Authors:Skerra, A, Eichinger, A.
Deposit date:2016-11-24
Release date:2017-10-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational Design of an Anticalin-Type Sugar-Binding Protein Using a Genetically Encoded Boronate Side Chain.
ACS Synth Biol, 6, 2017
5MLB
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BU of 5mlb by Molmil
Crystal structure of human RAS in complex with darpin K27
Descriptor: DARPin K27, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
Deposit date:2016-12-06
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:INhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
8ODX
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BU of 8odx by Molmil
Interleukin 12 receptor subunit beta-1 Fn domains in complex with antagonistic FAb4 fragment and VHH.
Descriptor: FAb4 Heavy chain, FAb4 Light chain, Interleukin-12 receptor subunit beta-1, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-03-09
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024

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數據於2024-10-16公開中

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