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5RJI
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BU of 5rji by Molmil
PanDDA analysis group deposition of ground-state model of PHIP
Descriptor: PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RJX
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BU of 5rjx by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z285782452
Descriptor: N-methyl-2-(methylsulfonyl)aniline, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKD
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BU of 5rkd by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z2168282707
Descriptor: (6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.237 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKU
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BU of 5rku by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z32367954
Descriptor: PH-interacting protein, ~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5KY8
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BU of 5ky8 by Molmil
mouse POFUT1 in complex with O-glucosylated mouse Notch1 EGF12 mutant (D464G) and GDP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Li, Z, Rini, J.M.
Deposit date:2016-07-21
Release date:2017-05-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
5L0R
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BU of 5l0r by Molmil
human POGLUT1 in complex with Notch1 EGF12 and UDP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Li, Z, Rini, J.M.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2021-03-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
2M2U
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BU of 2m2u by Molmil
Binary complex of African Swine Fever Virus Pol X with MgdGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Repair DNA polymerase X
Authors:Wu, W, Su, M, Tsai, M.
Deposit date:2013-01-03
Release date:2014-04-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
2M2W
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BU of 2m2w by Molmil
Ternary complex of ASFV Pol X with DNA and MgdGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(P*GP*GP*CP*GP*AP*AP*GP*CP*CP*GP*GP*GP*TP*GP*CP*GP*AP*AP*GP*CP*AP*CP*(DOC))-3', MAGNESIUM ION, ...
Authors:Wu, W, Su, M, Tsai, M.
Deposit date:2013-01-03
Release date:2014-04-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
2ML1
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BU of 2ml1 by Molmil
Solution Structure of AlgE6R1 subunit from the Azotobacter vinelandii Mannuronan C5-epimerase
Descriptor: CALCIUM ION, Poly(beta-D-mannuronate) C5 epimerase 6
Authors:Buchinger, E, Wimmer, R, Aachmann, F.L.
Deposit date:2014-02-18
Release date:2014-10-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of the R-modules in Alginate C-5 Epimerases AlgE4 and AlgE6 from Azotobacter vinelandii
J.Biol.Chem., 289, 2014
5LEL
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BU of 5lel by Molmil
Crystal structure of DARPin-DARPin rigid fusion, variant DD_Off7_10_3G124 in complex with Maltose-binding Protein and Green Fluorescent Protein
Descriptor: DD_Off7_10_3G124, Green fluorescent protein, Maltose-binding periplasmic protein
Authors:Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A.
Deposit date:2016-06-30
Release date:2017-11-15
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
5LDF
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BU of 5ldf by Molmil
Maltose binding protein genetically fused to dodecameric glutamine synthetase
Descriptor: Glutamine synthetase, Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Coscia, F, Petosa, C, Schoehn, G.
Deposit date:2016-06-25
Release date:2016-08-10
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Fusion to a homo-oligomeric scaffold allows cryo-EM analysis of a small protein.
Sci Rep, 6, 2016
5LOF
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BU of 5lof by Molmil
Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O.
Deposit date:2016-08-09
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
2M2V
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BU of 2m2v by Molmil
African Swine Fever Virus Pol X in the ternary complex with MgdGTP and DNA
Descriptor: Repair DNA polymerase X
Authors:Wu, W, Su, M, Tsai, M.
Deposit date:2013-01-03
Release date:2014-04-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
2ML3
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BU of 2ml3 by Molmil
Solution Structure of AlgE6R3 subunit from the Azotobacter vinelandii Mannuronan C5-epimerase
Descriptor: CALCIUM ION, Poly(beta-D-mannuronate) C5 epimerase 6
Authors:Buchinger, E, Wimmer, R, Aachmann, F.L.
Deposit date:2014-02-18
Release date:2014-10-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of the R-modules in Alginate C-5 Epimerases AlgE4 and AlgE6 from Azotobacter vinelandii
J.Biol.Chem., 289, 2014
2ML2
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BU of 2ml2 by Molmil
Solution Structure of AlgE6R2 subunit from the Azotobacter vinelandii Mannuronan C5-epimerase
Descriptor: CALCIUM ION, Poly(beta-D-mannuronate) C5 epimerase 6
Authors:Buchinger, E, Wimmer, R, Aachmann, F.L.
Deposit date:2014-02-18
Release date:2014-10-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of the R-modules in Alginate C-5 Epimerases AlgE4 and AlgE6 from Azotobacter vinelandii
J.Biol.Chem., 289, 2014
9BCG
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BU of 9bcg by Molmil
Myeloid cell leukemia-1 (Mcl-1) complexed with compound
Descriptor: 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-4,5-dimethoxy-1-methyl-1H-indole-2-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhao, B, Fesik, S.W.
Deposit date:2024-04-09
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Discovery of a Myeloid Cell Leukemia 1 (Mcl-1) Inhibitor that Demonstrates Potent in Vivo Activities in Mouse Models of Hematological and Solid Tumors
J.Med.Chem., 2024
8ZQE
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BU of 8zqe by Molmil
Cryo-EM structure of the GPR15L(C11)-bound GPR15 complex
Descriptor: GPR15, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhang, Z.Y, Zheng, Y, Xu, F.
Deposit date:2024-06-02
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular recognition of the atypical chemokine-like peptide GPR15L by its cognate receptor GPR15.
Cell Discov, 10, 2024
8ZMS
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BU of 8zms by Molmil
Acetylcholine-bound VAChT
Descriptor: ACETYLCHOLINE, Maltose/maltodextrin-binding periplasmic protein,Vesicular acetylcholine transporter,DARPinoff7
Authors:Zhang, Z, Zhang, Y, Dai, F, Zhang, Y.X, Lee, C.-H.
Deposit date:2024-05-23
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into VAChT neurotransmitter recognition and inhibition.
Cell Res., 2024
8XB4
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BU of 8xb4 by Molmil
Structure of apo state of the human Norepinephrine Transporter
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GFP-MBP-solute carrier family 6 member 2
Authors:Wu, J.X, Ji, W.M.
Deposit date:2023-12-05
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter
To Be Published
8XB2
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BU of 8xb2 by Molmil
Structure of radafaxine-bound state of the human Norepinephrine Transporter
Descriptor: (2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GFP-MBP-solute carrier family 6 member 2,Maltose/maltodextrin-binding periplasmic protein,Sodium-dependent noradrenaline transporter,Maltose/maltodextrin-binding periplasmic protein,Sodium-dependent noradrenaline transporter
Authors:Wu, J.X, Ji, W.M.
Deposit date:2023-12-05
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Substrate binding and inhibition mechanism of norepinephrine transporter
To Be Published
8XB3
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BU of 8xb3 by Molmil
Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter
Descriptor: 1-[(3-iodanylphenyl)methyl]guanidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, GFP-MBP-solute carrier family 6 member 2
Authors:Ji, W.M, Wu, J.X.
Deposit date:2023-12-05
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural mechanism of substrate binding and inhibition of the human Norepinephrine Transporter
To Be Published
8ZMR
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BU of 8zmr by Molmil
Vesamicol-bound VAChT
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Vesicular acetylcholine transporter,DARPinoff7, vesamicol
Authors:Zhang, Z, Zhang, Y, Dai, F, Zhang, Y.X, Lee, C.-H.
Deposit date:2024-05-23
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into VAChT neurotransmitter recognition and inhibition.
Cell Res., 2024
7MQ7
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BU of 7mq7 by Molmil
Tetragonal Maltose Binding Protein
Descriptor: CHLORIDE ION, Maltodextrin-binding protein, SULFATE ION, ...
Authors:Thaker, A, Sirajudeen, L, Simmons, C.R, Nannenga, B.L.
Deposit date:2021-05-05
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided identification of a peptide for bio-enabled gold nanoparticle synthesis.
Biotechnol.Bioeng., 118, 2021
7MQ6
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BU of 7mq6 by Molmil
Tetragonal Maltose Binding Protein in the presence of gold
Descriptor: CHLORIDE ION, GOLD ION, Maltodextrin-binding protein, ...
Authors:Thaker, A, Sirajudeen, L, Simmons, C.R, Nannenga, B.L.
Deposit date:2021-05-05
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.372 Å)
Cite:Structure-guided identification of a peptide for bio-enabled gold nanoparticle synthesis.
Biotechnol.Bioeng., 118, 2021
7MN6
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BU of 7mn6 by Molmil
Structure of the HER2 S310F/HER3/NRG1b Heterodimer Extracellular Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 6 of Pro-neuregulin-1, ...
Authors:Diwanji, D, Trenker, R, Verba, K.A, Jura, N.
Deposit date:2021-04-30
Release date:2021-10-27
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021

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