7UZN
 
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP | | Descriptor: | 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | | Authors: | Sheriff, S. | | Deposit date: | 2022-05-09 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.685 Å) | | Cite: | Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
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1ZZR
 | | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ... | | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2005-06-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
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1ZZT
 | | Bovine eNOS N368D/V106M double mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ... | | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2005-06-14 | | Release date: | 2005-12-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
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1ZZS
 | | Bovine eNOS N368D single mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2005-06-14 | | Release date: | 2005-12-06 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
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1ZZU
 | | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2005-06-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
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1ZZQ
 | | Rat nNOS D597N mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2005-06-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
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2BQX
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8HKG
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2PPH
 | | solution structure of human MEKK3 PB1 domain | | Descriptor: | Mitogen-activated protein kinase kinase kinase 3 | | Authors: | Hu, Q, Zhang, J, Wu, J, Shi, Y. | | Deposit date: | 2007-04-30 | | Release date: | 2007-05-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Insight into the Binding Properties of MEKK3 PB1 to MEK5 PB1 from Its Solution Structure.
Biochemistry, 46, 2007
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6O5I
 | | Menin in complex with MI-3454 | | Descriptor: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | | Authors: | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | | Deposit date: | 2019-03-03 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.24025619 Å) | | Cite: | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia.
J.Clin.Invest., 130, 2020
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6OIG
 | | Subunit joining exposes nascent pre-40S rRNA for processing and quality control | | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Rai, J, Parker, M.D, Ghalei, H, Johnson, M.C, Karbstein, K, Stroupe, M.E. | | Deposit date: | 2019-04-09 | | Release date: | 2020-09-30 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | An open interface in the pre-80S ribosome coordinated by ribosome assembly factors Tsr1 and Dim1 enables temporal regulation of Fap7.
Rna, 27, 2021
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5SZC
 | | Structure of human Dpf3 double-PHD domain bound to histone H3 tail peptide with monomethylated K4 and acetylated K14 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Histone H3 tail peptide, ZINC ION, ... | | Authors: | Singh, N, Local, A, Shiau, A, Ren, B, Corbett, K.D. | | Deposit date: | 2016-08-13 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.193 Å) | | Cite: | Identification of H3K4me1-associated proteins at mammalian enhancers.
Nat. Genet., 50, 2018
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5SZB
 | | Structure of human Dpf3 double-PHD domain bound to histone H3 tail peptide with acetylated K14 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Histone H3 tail peptide, ZINC ION, ... | | Authors: | Singh, N, Local, A, Shiau, A, Ren, B, Corbett, K.D. | | Deposit date: | 2016-08-13 | | Release date: | 2017-08-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Identification of H3K4me1-associated proteins at mammalian enhancers.
Nat. Genet., 50, 2018
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4Q94
 | | human RPRD1B CID in complex with a RPB1-CTD derived Ser2 phosphorylated peptide | | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-04-29 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
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4Q96
 | | CID of human RPRD1B in complex with an unmodified CTD peptide | | Descriptor: | RPB1-CTD, Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, ... | | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-04-29 | | Release date: | 2014-06-04 | | Last modified: | 2014-08-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
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8JT6
 | | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | | Descriptor: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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7VJM
 | | Aca1 in complex with 19bp palindromic DNA substrate | | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*GP*GP*CP*AP*CP*AP*TP*TP*GP*TP*GP*CP*CP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*GP*GP*CP*AP*CP*AP*AP*TP*GP*TP*GP*CP*CP*TP*AP*A)-3'), anti-CRISPR-associated protein Aca1 | | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | | Deposit date: | 2021-09-28 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
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7VJQ
 | | Pectobacterium phage ZF40 apo-aca2 complexed with 26bp DNA substrate | | Descriptor: | CHLORIDE ION, DNA (27-MER), GLYCEROL, ... | | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | | Deposit date: | 2021-09-28 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
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7VJO
 | | Pectobacterium phage ZF40 apo-Aca2 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, anti-CRISPR-associated protein Aca2 | | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | | Deposit date: | 2021-09-28 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
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7VJP
 | | Selenomethionine-derived Pectobacterium phage ZF40 apo-Aca2 | | Descriptor: | SULFATE ION, anti-CRISPR-associated protein Aca2 | | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | | Deposit date: | 2021-09-28 | | Release date: | 2021-10-20 | | Last modified: | 2022-02-02 | | Method: | X-RAY DIFFRACTION (1.594 Å) | | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
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4CX7
 | | Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE | | Descriptor: | (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-04-03 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
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4CX5
 | | Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE | | Descriptor: | 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-04-03 | | Release date: | 2014-08-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
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5J39
 | | Crystal Structure of the extended TUDOR domain from TDRD2 | | Descriptor: | CACODYLATE ION, Tudor and KH domain-containing protein, UNKNOWN ATOM OR ION | | Authors: | Zhang, H, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-03-30 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for arginine methylation-independent recognition of PIWIL1 by TDRD2.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4CX0
 | | Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4- METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4- METHYLPYRIDIN-2-AMINE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-04-03 | | Release date: | 2014-08-13 | | Last modified: | 2014-09-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
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4CX2
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE | | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-04-03 | | Release date: | 2014-08-13 | | Last modified: | 2014-09-03 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
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