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4FSE
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BU of 4fse by Molmil
crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with N-(N-(4-amino-3,5- dichlorobenzyl)carbamimidoyl)-3-(4-methoxyphenyl)-5- methyl-4-isothiazolecarboxamide
Descriptor: Beta-secretase 1, IODIDE ION, N-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
Authors:Muckelbauer, J.K.
Deposit date:2012-06-27
Release date:2012-10-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Acyl guanidine inhibitors of beta-secretase (BACE-1): optimization of a micromolar hit to a nanomolar lead via iterative solid- and solution-phase library synthesis
J.Med.Chem., 55, 2012
4FYZ
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BU of 4fyz by Molmil
Crystal Structure of Nitrosyl Cytochrome P450cin
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, NITRIC OXIDE, ...
Authors:Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L.
Deposit date:2012-07-05
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
4FWU
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BU of 4fwu by Molmil
Crystal structure of glutaminyl cyclase from drosophila melanogaster in space group I4
Descriptor: 1,2-ETHANEDIOL, CG32412, SULFATE ION, ...
Authors:Kolenko, P, Koch, B, Stubbs, M.T.
Deposit date:2012-07-02
Release date:2012-09-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of glutaminyl cyclase from Drosophila melanogaster in space group I4.
Acta Crystallogr.,Sect.F, 69, 2013
4UM8
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BU of 4um8 by Molmil
Crystal structure of alpha V beta 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, ...
Authors:Dong, X, Springer, T.A.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Structural Determinants of Integrin Beta-Subunit Specificity for Latent Tgf-Beta
Nat.Struct.Mol.Biol., 21, 2014
6O7M
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BU of 6o7m by Molmil
Nitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the indigo carmine oxidized state
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Williamson, L.M, Tezcan, F.A.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
6O7O
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BU of 6o7o by Molmil
Nitrogenase MoFeP mutant F99Y/S188A from Azotobacter vinelandii in the dithionite reduced state after redox cycling
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Tezcan, F.A.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
4FSL
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BU of 4fsl by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-DB-MUT) complex with N-(N-(4- acetamido-3-chloro-5-methylbenzyl)carbamimidoyl)-3-(4- methoxyphenyl)-5-methyl-4-isothiazolecarboxamide
Descriptor: Beta-secretase 1, IODIDE ION, N-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
Authors:Muckelbauer, J.K.
Deposit date:2012-06-27
Release date:2012-10-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Acyl Guanidine Inhibitors of beta-Secretase (BACE-1): Optimization of a Micromolar Hit to a Nanomolar Lead via Iterative Solid- and Solution-Phase Library Synthesis
J.Med.Chem., 55, 2012
6O7L
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BU of 6o7l by Molmil
Nitrogenase MoFeP mutant S188A from Azotobacter vinelandii in the dithionite reduced state after redox cycling
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Tezcan, F.A.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
6O7Q
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BU of 6o7q by Molmil
Nitrogenase MoFeP mutant S188A from Azotobacter vinelandii in the dithionite reduced state after redox cycling
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Tezcan, F.A.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
6O7P
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BU of 6o7p by Molmil
Nitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the dithionite reduced state
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Williamson, L.M, Tezcan, F.A.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
5TBW
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BU of 5tbw by Molmil
Crystal structure of chlorolissoclimide bound to the yeast 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Konst, Z.A, Szklarski, A.R, Pellegrino, S, Michalak, S.E, Meyer, M, Zanette, C, Cencic, R, Nam, S, Horne, D.A, Pelletier, J, Mobley, D.L, Yusupova, G, Yusupov, M, Vanderwal, C.D.
Deposit date:2016-09-13
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis facilitates an understanding of the structural basis for translation inhibition by the lissoclimides.
Nat Chem, 9, 2017
6O7R
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BU of 6o7r by Molmil
Nitrogenase MoFeP mutant F99Y, S188A from Azotobacter vinelandii in the dithionite reduced state
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Williamson, L.M, Tezcan, F.A.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
7QWF
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BU of 7qwf by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 45
Descriptor: 1,2-ETHANEDIOL, 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A, ...
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-25
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QYW
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BU of 7qyw by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 111
Descriptor: (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-29
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QZ4
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BU of 7qz4 by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 87
Descriptor: 1,2-ETHANEDIOL, 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-30
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
7QYE
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BU of 7qye by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 78
Descriptor: 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-28
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
6O7S
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BU of 6o7s by Molmil
Nitrogenase MoFeP mutant S188A from Azotobacter vinelandii in the indigo carmine oxidized state
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(6)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Tezcan, F.A.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
1AXY
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BU of 1axy by Molmil
ERYTHRINA CORALLODENDRON LECTIN
Descriptor: CALCIUM ION, LECTIN, MANGANESE (II) ION, ...
Authors:Shaanan, B, Elgavish, S.
Deposit date:1997-10-24
Release date:1998-05-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Erythrina corallodendron lectin and of its complexes with mono- and disaccharides.
J.Mol.Biol., 277, 1998
6O7N
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BU of 6o7n by Molmil
Nitrogenase MoFeP mutant F99Y/S188A from Azotobacter vinelandii in the indigo carmine oxidized state
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
Authors:Rutledge, H.L, Tezcan, F.A.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
5WPB
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BU of 5wpb by Molmil
Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-08-04
Release date:2017-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
8OV6
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BU of 8ov6 by Molmil
Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB
Descriptor: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ...
Authors:Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A.
Deposit date:2023-04-25
Release date:2023-05-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Targeted protein degradation via intramolecular bivalent glues.
Nature, 627, 2024
1AX1
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BU of 1ax1 by Molmil
ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH LACTOSE
Descriptor: CALCIUM ION, LECTIN, MANGANESE (II) ION, ...
Authors:Shaanan, B, Elgavish, S.
Deposit date:1997-10-24
Release date:1998-05-06
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Erythrina corallodendron lectin and of its complexes with mono- and disaccharides.
J.Mol.Biol., 277, 1998
4QK4
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BU of 4qk4 by Molmil
Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to pip2 at 2.8 a resolution
Descriptor: (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-06-05
Release date:2014-07-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014
1AX2
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BU of 1ax2 by Molmil
ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH N-ACETYLLACTOSAMINE
Descriptor: CALCIUM ION, LECTIN, MANGANESE (II) ION, ...
Authors:Shaanan, B, Elgavish, S.
Deposit date:1997-10-24
Release date:1998-05-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Erythrina corallodendron lectin and of its complexes with mono- and disaccharides.
J.Mol.Biol., 277, 1998
9FPE
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BU of 9fpe by Molmil
Wild type Purine Nucleoside Phosphorylase from E.coli in complex with N2,3-etheno-2-aminopurine
Descriptor: GLYCEROL, N,2,3-etheno-2-aminopurine, PHOSPHATE ION, ...
Authors:Narczyk, M, Krystian, M, Stachelska-Wierzchowska, A, Wierzchowski, J.
Deposit date:2024-06-13
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Interaction of Tri-Cyclic Nucleobase Analogs with Enzymes of Purine Metabolism: Xanthine Oxidase and Purine Nucleoside Phosphorylase.
Int J Mol Sci, 25, 2024

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