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6RXO
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BU of 6rxo by Molmil
Crystal structure of CobB Ac2 (A76G, I131C, V162A) in complex with H4K16-Buturyl peptide
Descriptor: Histone H4, NAD-dependent protein deacylase, ZINC ION
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6P9E
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BU of 6p9e by Molmil
Crystal structure of IL-36gamma complexed to A-552
Descriptor: (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma
Authors:Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E.
Deposit date:2019-06-10
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
7OL3
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BU of 7ol3 by Molmil
Human ATL1 N417ins (catalytic core)
Descriptor: Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kelly, C.M, Sondermann, H.
Deposit date:2021-05-19
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel insertion mutation in atlastin 1 is associated with spastic quadriplegia, increased membrane tethering, and aberrant conformational switching.
J.Biol.Chem., 298, 2021
1NOX
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BU of 1nox by Molmil
NADH OXIDASE FROM THERMUS THERMOPHILUS
Descriptor: FLAVIN MONONUCLEOTIDE, NADH OXIDASE
Authors:Hecht, H.J, Erdmann, H, Park, H.J, Sprinzl, M, Schmid, R.D.
Deposit date:1996-11-20
Release date:1997-03-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure of NADH oxidase from Thermus thermophilus.
Nat.Struct.Biol., 2, 1995
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
Deposit date:2018-06-18
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
1UKV
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BU of 1ukv by Molmil
Structure of RabGDP-dissociation inhibitor in complex with prenylated YPT1 GTPase
Descriptor: GERAN-8-YL GERAN, GTP-binding protein YPT1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Rak, A, Pylypenko, O, Durek, T, Watzke, A, Kushnir, S, Brunsveld, L, Waldmann, H, Goody, R.S, Alexandrov, K.
Deposit date:2003-09-01
Release date:2004-09-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Rab GDP-dissociation inhibitor in complex with prenylated YPT1 GTPase
Science, 302, 2003
1GK7
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BU of 1gk7 by Molmil
HUMAN VIMENTIN COIL 1A FRAGMENT (1A)
Descriptor: SULFATE ION, VIMENTIN
Authors:Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P.
Deposit date:2001-08-08
Release date:2002-03-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly.
Embo J., 21, 2002
6RXP
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BU of 6rxp by Molmil
Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16-Crotonyl peptide
Descriptor: Histone H4, NAD-dependent protein deacylase, ZINC ION
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
1QE6
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BU of 1qe6 by Molmil
INTERLEUKIN-8 WITH AN ADDED DISULFIDE BETWEEN RESIDUES 5 AND 33 (L5C/H33C)
Descriptor: INTERLEUKIN-8 VARIANT, SULFATE ION
Authors:Gerber, N, Lowman, H, Artis, D.R, Eigenbrot, C.
Deposit date:1999-07-13
Release date:2000-03-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Receptor-binding conformation of the "ELR" motif of IL-8: X-ray structure of the L5C/H33C variant at 2.35 A resolution.
Proteins, 38, 2000
4JVB
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BU of 4jvb by Molmil
Crystal structure of PDE6D in complex with the inhibitor rac-2
Descriptor: 1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H.
Deposit date:2013-03-25
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
8P4X
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BU of 8p4x by Molmil
FAD_ox bound dark state structure of PdLCry
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative light-receptive cryptochrome (Fragment)
Authors:Behrmann, E, Behrmann, H.
Deposit date:2023-05-23
Release date:2023-11-08
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:A marine cryptochrome with an inverse photo-oligomerization mechanism.
Nat Commun, 14, 2023
3EUV
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BU of 3euv by Molmil
Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10, W102T, Y154T) in complex with BiotinGPP
Descriptor: (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
Authors:Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K.
Deposit date:2008-10-11
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Analysis of the eukaryotic prenylome by isoprenoid affinity tagging
Nat.Chem.Biol., 5, 2009
4M0M
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BU of 4m0m by Molmil
The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
Descriptor: PHOSPHATE ION, Putative uncharacterized protein, TETRAETHYLENE GLYCOL
Authors:Tan, K, Li, H, Clancy, S, Shuman, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-08-01
Release date:2013-08-21
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
To be Published
5ML3
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BU of 5ml3 by Molmil
The crystal structure of PDE6D in complex to Deltasonamide1
Descriptor: Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
Authors:Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
8J1J
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BU of 8j1j by Molmil
Cryo-EM structure of the AsCas12f-YHAM-sgRNAS3-5v7-target DNA
Descriptor: DNA (38-MER), MAGNESIUM ION, RNA (118-MER), ...
Authors:Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O.
Deposit date:2023-04-13
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Minimal and most efficient genome editing Cas enzyme
To Be Published
8J3R
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BU of 8j3r by Molmil
Cryo-EM structure of the AsCas12f-HKRA-sgRNAS3-5v7-target DNA
Descriptor: DNA (37-MER), DNA (38-MER), MAGNESIUM ION, ...
Authors:Hino, T, Omura, N.S, Nakagawa, R, Togashi, T, Takeda, N.S, Hiramoto, T, Tasaka, S, Hirano, H, Tokuyama, T, Uosaki, H, Ishiguro, H, Yamano, H, Ozaki, Y, Motooka, D, Mori, H, Kirita, Y, Kise, Y, Itoh, Y, Matoba, S, Aburatani, H, Yachie, N, Siksnys, V, Ohmori, T, Hoshino, A, Nureki, O.
Deposit date:2023-04-18
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Minimal and most efficient genome editing Cas enzyme
To Be Published
3DLN
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BU of 3dln by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR3 bound to glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
Deposit date:2008-06-27
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008
5ML8
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BU of 5ml8 by Molmil
The crystal structure of PDE6D in complex to inhibitor-4
Descriptor: Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}4-[(4-chlorophenyl)methyl]-~{N}4-cyclopentyl-~{N}1-(phenylmethyl)-~{N}1-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide
Authors:Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
3DYT
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BU of 3dyt by Molmil
Crystal structure of Snx9PX-BAR (230-595), C2221
Descriptor: SULFATE ION, Sorting nexin-9
Authors:Wang, Q, Kaan, H.Y.K, Sondermann, H.
Deposit date:2008-07-28
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure and plasticity of endophilin and sorting nexin 9.
Structure, 16, 2008
5ML4
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BU of 5ml4 by Molmil
The crystal structure of PDE6D in complex to inhibitor-7
Descriptor: 4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Fansa, E.K, Martin-Gago, P, waldmann, H, Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
5ML6
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BU of 5ml6 by Molmil
The crystal structure of PDE6D in complex to inhibitor-8
Descriptor: 2-azanyl-4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]benzoic acid, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Fansa, E.K, Martin-gago, P, Waldmann, H, Wittinghofer, A.
Deposit date:2016-12-06
Release date:2017-02-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NR7
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BU of 5nr7 by Molmil
Mtb TMK crystal structure in complex with compound 43
Descriptor: 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase
Authors:Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.
Deposit date:2017-04-22
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
4JVF
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BU of 4jvf by Molmil
The Crystal structure of PDE6D in complex with the inhibitor (s)-5
Descriptor: (2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H.
Deposit date:2013-03-25
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
3DP4
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BU of 3dp4 by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR3 bound to AMPA
Descriptor: (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
Deposit date:2008-07-07
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008
3DYU
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BU of 3dyu by Molmil
Crystal structure of Snx9PX-BAR (230-595), H32
Descriptor: Sorting nexin-9
Authors:Wang, Q, Kaan, H.Y.K, Sondermann, H.
Deposit date:2008-07-28
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structure and plasticity of endophilin and sorting nexin 9.
Structure, 16, 2008

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