6KEC
 
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | | Descriptor: | 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Lee, B.I, Park, T.H. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
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6KEH
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | | Descriptor: | 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Lee, B.I, Park, T.H. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
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6KEJ
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | | Descriptor: | 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Lee, B.I, Park, T.H. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
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6KEK
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | | Descriptor: | 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Lee, B.I, Park, T.H. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
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6KEI
 | | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | | Descriptor: | 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Lee, B.I, Park, T.H. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research.
Molecules, 26, 2021
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7W1M
 | | Cryo-EM structure of human cohesin-CTCF-DNA complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cohesin subunit SA-1, ... | | Authors: | Shi, Z.B, Bai, X.C, Yu, H. | | Deposit date: | 2021-11-19 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | CTCF and R-loops are boundaries of cohesin-mediated DNA looping.
Mol.Cell, 83, 2023
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7KAG
 | | Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 3, SULFATE ION | | Authors: | Stogios, P.J, Skarina, T, Chang, C, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-30 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2
To Be Published
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6W75
 | | 1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2 | | Descriptor: | 2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-18 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
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6W4H
 | | 1.80 Angstrom Resolution Crystal Structure of NSP16 - NSP10 Complex from SARS-CoV-2 | | Descriptor: | 2'-O-methyltransferase, ACETATE ION, Non-structural protein 10, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-10 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design.
Sci.Signal., 13, 2020
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7S2I
 | | Crystal structure of sulfonamide resistance enzyme Sul1 in complex with 6-hydroxymethylpterin | | Descriptor: | 6-HYDROXYMETHYLPTERIN, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Skarina, T, Kim, Y, Venkatesan, M, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-09-03 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
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5CXD
 | | 1.75 Angstrom resolution crystal structure of the apo-form acyl-carrier-protein synthase (AcpS) (acpS; purification tag off) from Staphylococcus aureus subsp. aureus COL in the I4 space group | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Holo-[acyl-carrier-protein] synthase, ... | | Authors: | Halavaty, A.S, Minasov, G, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-07-28 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | 1.75 Angstrom resolution crystal structure of the apo-form acyl-carrier-protein synthase (AcpS) (acpS; purification tag off) from Staphylococcus aureus subsp. aureus COL in the I4 space group
To Be Published
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7DHA
 | | crystal structure of CD38 in complex with daratumumab | | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy Chain, Light chain | | Authors: | Lee, H.T, Heo, Y.S. | | Deposit date: | 2020-11-13 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of CD38 in complex with daratumumab, a first-in-class anti-CD38 antibody drug for treating multiple myeloma.
Biochem.Biophys.Res.Commun., 536, 2021
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7EOW
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2ETX
 | | Crystal Structure of MDC1 Tandem BRCT Domains | | Descriptor: | Mediator of DNA damage checkpoint protein 1 | | Authors: | Wasielewski, E, Kim, Y, Joachimiak, A, Thompson, J.R, Mer, G. | | Deposit date: | 2005-10-27 | | Release date: | 2005-11-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Molecular Basis for the Association of Microcephalin (MCPH1) Protein with the Cell Division Cycle Protein 27 (Cdc27) Subunit of the Anaphase-promoting Complex.
J.Biol.Chem., 287, 2012
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2OCF
 | | Human estrogen receptor alpha ligand-binding domain in complex with estradiol and the E2#23 FN3 monobody | | Descriptor: | ESTRADIOL, Estrogen receptor, Fibronectin | | Authors: | Rajan, S.S, Kuruvilla, S.M, Sharma, S.K, Kim, Y, Huang, J, Koide, A, Koide, S, Joachimiak, A, Greene, G.L. | | Deposit date: | 2006-12-20 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Probing protein conformational changes in living cells by using designer binding proteins: application to the estrogen receptor.
Proc.Natl.Acad.Sci.USA, 99, 2002
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2OCD
 | | Crystal structure of L-asparaginase I from Vibrio cholerae O1 biovar eltor str. N16961 | | Descriptor: | ACETATE ION, GLYCEROL, L-asparaginase I | | Authors: | Nocek, B, Wu, R, Osipiuk, J, Moy, S, Kim, Y, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-12-20 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of L-asparaginase I from Vibrio cholerae O1 biovar eltor str. N16961
To be Published
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1TAU
 | | TAQ POLYMERASE (E.C.2.7.7.7)/DNA/B-OCTYLGLUCOSIDE COMPLEX | | Descriptor: | 2-O-octyl-beta-D-glucopyranose, DNA (5'-D(*CP*GP*GP*AP*TP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*AP*TP*CP*CP*G)-3'), ... | | Authors: | Eom, S.H, Wang, J, Steitz, T.A. | | Deposit date: | 1996-06-17 | | Release date: | 1997-04-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Taq ploymerase with DNA at the polymerase active site.
Nature, 382, 1996
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5WAT
 | | Corynebacterium glutamicum Full length Homoserine kinase | | Descriptor: | HEXAETHYLENE GLYCOL, Homoserine kinase, MAGNESIUM ION, ... | | Authors: | Petit, C, Ronning, D.R. | | Deposit date: | 2017-06-27 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis.
ACS Omega, 3, 2018
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5WAS
 | | Corynebacterium glutamicum Hydrolyzed Homoserine kinase | | Descriptor: | Homoserine kinase, PHOSPHATE ION | | Authors: | Petit, C, Ronning, D.R. | | Deposit date: | 2017-06-27 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis.
ACS Omega, 3, 2018
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5JHF
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4P1W
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4P1N
 | | Crystal structure of Atg1-Atg13 complex | | Descriptor: | Atg1 tMIT, Atg13 MIM | | Authors: | Fujioka, Y, Noda, N.N. | | Deposit date: | 2014-02-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of starvation-induced assembly of the autophagy initiation complex.
Nat.Struct.Mol.Biol., 21, 2014
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5B18
 | | Crystal Structure of a Darunavir Resistant HIV-1 Protease | | Descriptor: | ACETATE ION, CHLORIDE ION, Protease | | Authors: | Suzuki, K, Ode, H, Nakashima, M, Sugiura, W, Watanabe, N, Suzuki, A, Iwatani, Y. | | Deposit date: | 2015-11-30 | | Release date: | 2016-04-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unique Flap Conformation in an HIV-1 Protease with High-Level Darunavir Resistance
Front Microbiol, 7, 2016
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3C6N
 | | Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling | | Descriptor: | (2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ... | | Authors: | Tan, X, Zheng, N, Hayashi, K. | | Deposit date: | 2008-02-04 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C6P
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