5N6H
 
 | | Structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, GLYCEROL | | Authors: | Huang, C.-Y, Boland, C, Howe, N, Wiktor, M, Vogeley, L, Weichert, D, Bailey, J, Olieric, V, Wang, M, Caffrey, M. | | Deposit date: | 2017-02-15 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis.
Nat Commun, 8, 2017
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7M7C
 | | Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2021-03-27 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c)
To Be Published
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5DIR
 | | membrane protein at 2.8 Angstroms | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase | | Authors: | Vogeley, L, El Arnaout, T, Bailey, J, Boland, C, Caffrey, M. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of lipoprotein signal peptidase II action and inhibition by the antibiotic globomycin.
Science, 351, 2016
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6OT8
 | | Bimetallic hexameric cage design 4 (BMC4) from cytochrome cb562 | | Descriptor: | ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ... | | Authors: | Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Constructing protein polyhedra via orthogonal chemical interactions.
Nature, 578, 2020
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5N6M
 | | Structure of the membrane integral lipoprotein N-acyltransferase Lnt from P. aeruginosa | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CITRATE ANION, ... | | Authors: | Huang, C.-Y, Boland, C, Howe, N, Wiktor, M, Vogeley, L, Weichert, D, Bailey, J, Olieric, V, Wang, M, Caffrey, M. | | Deposit date: | 2017-02-15 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis.
Nat Commun, 8, 2017
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1SEV
 | | Mature and translocatable forms of glyoxysomal malate dehydrogenase have different activities and stabilities but similar crystal structures | | Descriptor: | Malate dehydrogenase, glyoxysomal precursor | | Authors: | Cox, B.R, Chit, M.M, Weaver, T.M, Bailey, J, Gietl, C, Bell, E, Banaszak, L.J. | | Deposit date: | 2004-02-18 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Organelle and translocatable forms of glyoxysomal malate dehydrogenase. The effect of the N-terminal presequence
Febs J., 272, 2005
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1SMK
 | | Mature and translocatable forms of glyoxysomal malate dehydrogenase have different activities and stabilities but similar crystal structures | | Descriptor: | CITRIC ACID, Malate dehydrogenase, glyoxysomal | | Authors: | Cox, B, Chit, M.M, Weaver, T, Bailey, J, Gietl, C, Bell, E, Banaszak, L. | | Deposit date: | 2004-03-09 | | Release date: | 2005-01-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Organelle and translocatable forms of glyoxysomal malate dehydrogenase. The effect of the N-terminal presequence.
Febs J., 272, 2005
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5UOH
 | | Crystal Structure of Hip1 (Rv2224c) T466A mutant | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Baikovitz, J, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2017-01-31 | | Release date: | 2017-04-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
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5BKM
 | | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2021-03-20 | | Release date: | 2022-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine)
To Be Published
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6B0F
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1UU8
 | | Structure of human PDK1 kinase domain in complex with BIM-1 | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2003-12-16 | | Release date: | 2004-03-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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5WPN
 | | Zn-bound Structure of Chaetopterus variopedatus Ferritin | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | De Meulenaere, E, Bailey, J.B, Tezcan, F.A, Deheyn, D. | | Deposit date: | 2017-08-05 | | Release date: | 2017-12-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | First biochemical and crystallographic characterization of a fast-performing ferritin from a marine invertebrate.
Biochem. J., 474, 2017
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6RYP
 | | Bacterial membrane enzyme structure by the in meso method at 2.3 A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Lipoprotein signal peptidase, ... | | Authors: | Huang, C.Y, Olatunji, S, Bailey, J, Yu, X, Olieric, V, Wang, M, Caffrey, M. | | Deposit date: | 2019-06-11 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of lipoprotein signal peptidase II from Staphylococcus aureus complexed with antibiotics globomycin and myxovirescin.
Nat Commun, 11, 2020
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5CMQ
 | | Crystal Structure of Zn-bound Human H-Ferritin variant 122H-delta C-star | | Descriptor: | Ferritin heavy chain, ZINC ION | | Authors: | Sontz, P.A, Bailey, J.B, Ahn, S, Tezcan, F.A. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | A Metal Organic Framework with Spherical Protein Nodes: Rational Chemical Design of 3D Protein Crystals.
J.Am.Chem.Soc., 137, 2015
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5CMR
 | | Crystal Structure of Linker-Mediated Zn-bound Human H-Ferritin variant 122H-delta C-star | | Descriptor: | Ferritin heavy chain, N,N'-dihydroxybenzene-1,4-dicarboxamide, SODIUM ION, ... | | Authors: | Sontz, P.A, Bailey, J.B, Ahn, S, Tezcan, F.A. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.792 Å) | | Cite: | A Metal Organic Framework with Spherical Protein Nodes: Rational Chemical Design of 3D Protein Crystals.
J.Am.Chem.Soc., 137, 2015
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1UU9
 | | Structure of human PDK1 kinase domain in complex with BIM-3 | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2003-12-16 | | Release date: | 2004-03-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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1UU7
 | | Structure of human PDK1 kinase domain in complex with BIM-2 | | Descriptor: | 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2003-12-16 | | Release date: | 2004-03-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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1UU3
 | | Structure of human PDK1 kinase domain in complex with LY333531 | | Descriptor: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2003-12-15 | | Release date: | 2004-03-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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1UVR
 | | Structure of human PDK1 kinase domain in complex with BIM-8 | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | | Authors: | Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2004-01-22 | | Release date: | 2004-03-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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6B8F
 | | Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid | | Descriptor: | CALCIUM ION, FE (III) ION, Ferritin heavy chain | | Authors: | Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A. | | Deposit date: | 2017-10-07 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
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6B8G
 | | Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid | | Descriptor: | CALCIUM ION, FE (III) ION, Ferritin heavy chain | | Authors: | Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A. | | Deposit date: | 2017-10-07 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
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2V7B
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5T92
 | | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid | | Descriptor: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor | | Authors: | Kirby, C, Baird, J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
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5T97
 | | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | | Descriptor: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor | | Authors: | Kirby, C.A, Baird, J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
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3JPV
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand | | Descriptor: | 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-04 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors.
J.Med.Chem., 52, 2009
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