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6R0Q
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BU of 6r0q by Molmil
Mutant cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with thalidomide metabolite alpha-(o-carboxybenzamido)glutarimide
Descriptor: 2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid, ALA-ALA-ALA, ALA-ALA-ALA-ALA, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R11
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BU of 6r11 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5b
Descriptor: 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, Cereblon isoform 4, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R13
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BU of 6r13 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7f
Descriptor: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R12
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BU of 6r12 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7b
Descriptor: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-13
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R18
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BU of 6r18 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 11a
Descriptor: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R19
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BU of 6r19 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a
Descriptor: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1A
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BU of 6r1a by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20b
Descriptor: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1D
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BU of 6r1d by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7d, co-crystallized
Descriptor: (phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate, Cereblon isoform 4, ZINC ION
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1K
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BU of 6r1k by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7c
Descriptor: Cereblon isoform 4, PHOSPHATE ION, ZINC ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1W
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BU of 6r1w by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 16b
Descriptor: (4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-15
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1X
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BU of 6r1x by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7a
Descriptor: Cereblon isoform 4, ZINC ION, ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-15
Release date:2019-08-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1C
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BU of 6r1c by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 12a
Descriptor: 4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid, ASPARTIC ACID, CHLORIDE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
3D9X
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BU of 3d9x by Molmil
Structure of the head of the Bartonella adhesin BadA
Descriptor: Adhesin A
Authors:Zeth, K, Lupas, A, Martin, J.
Deposit date:2008-05-28
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structure of the head of the Bartonella adhesin BadA
Plos Pathog., 4, 2008
4C46
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BU of 4c46 by Molmil
ANDREI-N-LVPAS fused to GCN4 adaptors
Descriptor: BROMIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H.
Deposit date:2013-08-30
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors.
J.Struct.Biol., 186, 2014
4GN0
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BU of 4gn0 by Molmil
De novo phasing of a Hamp-complex using an improved Arcimboldo method
Descriptor: Hamp domain of AF1503, MAGNESIUM ION
Authors:Hulko, M, Ursinus, A, Bar, K, Martin, J, Zeth, K, Lupas, A.N.
Deposit date:2012-08-16
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploiting tertiary structure through local folds for crystallographic phasing.
Nat.Methods, 10, 2013
4WBQ
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BU of 4wbq by Molmil
Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing.
Descriptor: CALCIUM ION, QDE-2-interacting protein
Authors:Boland, A, Weinert, T, Weichenrieder, O, Wang, M.
Deposit date:2014-09-03
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WBX
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BU of 4wbx by Molmil
Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
Descriptor: 2-keto acid:ferredoxin oxidoreductase subunit alpha
Authors:Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2014-09-04
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
1TPA
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BU of 1tpa by Molmil
THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS
Descriptor: ANHYDRO-TRYPSIN, BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION
Authors:Huber, R, Bode, W, Deisenhofer, J.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
4MJO
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BU of 4mjo by Molmil
Human liver fructose-1,6-bisphosphatase(d-fructose-1,6-bisphosphate, 1-phosphohydrolase) (e.c.3.1.3.11) complexed with the allosteric inhibitor 3
Descriptor: Fructose-1,6-bisphosphatase 1, N-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Authors:Ruf, A, Joseph, C, Tetaz, T, Benz, J.
Deposit date:2013-09-04
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Determination of protein-ligand binding constants of a cooperatively regulated tetrameric enzyme using electrospray mass spectrometry.
Acs Chem.Biol., 9, 2014
6Y6D
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BU of 6y6d by Molmil
Tubulin-7-Aminonoscapine complex
Descriptor: (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Oliva, M.A, Prota, A.E, Rodriguez-Salarichs, J, Gu, W, Bennani, Y.L, Jimenez-Barbero, J, Canales, A, Steinmetz, M.O, Diaz, J.F.
Deposit date:2020-02-26
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of Noscapine Activation for Tubulin Binding.
J.Med.Chem., 63, 2020
7Z14
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BU of 7z14 by Molmil
Cryo-EM structure of Torpedo nicotinic acetylcholine receptor in complex with a short-chain neurotoxin.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ...
Authors:Nys, M.A.E.M, Zarkadas, E, Ulens, C, Nury, H.
Deposit date:2022-02-24
Release date:2022-08-17
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:The molecular mechanism of snake short-chain alpha-neurotoxin binding to muscle-type nicotinic acetylcholine receptors.
Nat Commun, 13, 2022
8B61
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BU of 8b61 by Molmil
Crystal structure of BfrC protein from Bacteroides fragilis NCTC 9343
Descriptor: Conserved hypothetical lipoprotein, GLYCEROL, pentane-1,3,5-tricarboxylic acid
Authors:Antonyuk, S.V, Barnett, K, Strange, R.W, Olczak, T.
Deposit date:2022-09-25
Release date:2023-05-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Bacteroides fragilis expresses three proteins similar to Porphyromonas gingivalis HmuY: Hemophore-like proteins differentially evolved to participate in heme acquisition in oral and gut microbiomes.
Faseb J., 37, 2023
4WAU
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BU of 4wau by Molmil
Crystal structure of CENP-M solved by native-SAD phasing
Descriptor: Centromere protein M
Authors:Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M.
Deposit date:2014-09-01
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAB
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BU of 4wab by Molmil
Crystal structure of mPGES1 solved by native-SAD phasing
Descriptor: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
Authors:Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
Deposit date:2014-08-29
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
5W5K
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BU of 5w5k by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70
Descriptor: 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-06-15
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019

224201

PDB entries from 2024-08-28

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