6OVJ
 
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6MA6
 | | Human CYP3A4 bound to an inhibitor metyrapone | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, GLYCEROL, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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3UVR
 | | Human p38 MAP Kinase in Complex with KM064 | | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | | Deposit date: | 2011-11-30 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: |
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5T0I
 | | Structural basis for dynamic regulation of the human 26S proteasome | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Chen, S, Wu, J, Lu, Y, Ma, Y.B, Lee, B.H, Yu, Z, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | Deposit date: | 2016-08-16 | | Release date: | 2016-10-19 | | Last modified: | 2016-11-30 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Structural basis for dynamic regulation of the human 26S proteasome.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1E9X
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5JK8
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6MA8
 | | Human CYP3A4 bound to PMSF | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, DIMETHYL SULFOXIDE, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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5T0C
 | | Structural basis for dynamic regulation of the human 26S proteasome | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Chen, S, Wu, J, Lu, Y, Ma, Y.B, Lee, B.H, Yu, Z, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | Deposit date: | 2016-08-15 | | Release date: | 2016-10-19 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for dynamic regulation of the human 26S proteasome.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5T0J
 | | Structural basis for dynamic regulation of the human 26S proteasome | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Chen, S, Wu, J, Lu, Y, Ma, Y.B, Lee, B.H, Yu, Z, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | Deposit date: | 2016-08-16 | | Release date: | 2016-10-19 | | Last modified: | 2016-11-30 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Structural basis for dynamic regulation of the human 26S proteasome.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1U13
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6MA7
 | | Human CYP3A4 bound to an inhibitor fluconazole | | Descriptor: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 3A4, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-08-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
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5T0G
 | | Structural basis for dynamic regulation of the human 26S proteasome | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Chen, S, Wu, J, Lu, Y, Ma, Y.B, Lee, B.H, Yu, Z, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | Deposit date: | 2016-08-16 | | Release date: | 2016-10-19 | | Last modified: | 2016-11-30 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural basis for dynamic regulation of the human 26S proteasome.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5T0H
 | | Structural basis for dynamic regulation of the human 26S proteasome | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Chen, S, Wu, J, Lu, Y, Ma, Y.B, Lee, B.H, Yu, Z, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | Deposit date: | 2016-08-16 | | Release date: | 2016-10-19 | | Last modified: | 2016-11-30 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Structural basis for dynamic regulation of the human 26S proteasome.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7KFA
 | | PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Chopra, R, Xu, M, Spraggon, G. | | Deposit date: | 2020-10-13 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
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3WGV
 | | Crystal structure of a Na+-bound Na+,K+-ATPase preceding the E1P state with oligomycin | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kanai, R, Ogawa, H, Vilsen, B, Cornelius, F, Toyoshima, C. | | Deposit date: | 2013-08-09 | | Release date: | 2013-10-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a Na1-bound Na1,K1-ATPase preceding the E1P state
Nature, 502, 2013
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1LOJ
 | | Crystal structure of a Methanobacterial Sm-like archaeal protein (SmAP1) bound to uridine-5'-monophosphate (UMP) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, URIDINE, URIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Mura, C, Kozhukhovsky, A, Eisenberg, D. | | Deposit date: | 2002-05-06 | | Release date: | 2003-03-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The oligomerization and ligand-binding properties of Sm-like archaeal proteins (SmAPs)
Protein Sci., 12, 2003
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1NCQ
 | | The structure of HRV14 when complexed with pleconaril, an antiviral compound | | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, COAT PROTEIN VP1, COAT PROTEIN VP2, ... | | Authors: | Zhang, Y, Simpson, A.A, Bator, C.M, Chakravarty, S, Pevear, D.C, Skochko, G.A, Tull, T.M, Diana, G, Rossmann, M.G. | | Deposit date: | 2002-12-05 | | Release date: | 2003-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and virological studies of the stages of virus replication that are affected by antirhinovirus compounds
J.Virol., 78, 2004
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6PN0
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.229 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6PN5
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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3CC2
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6PMW
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(4-(Aminomethyl)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.748 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6PN8
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.838 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6PBU
 | | ClpP1 from Mycobacterium smegmatis | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, MALONATE ION | | Authors: | Heras, B, Nagpal, J, Dougan, D.A. | | Deposit date: | 2019-06-14 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular and structural insights into an asymmetric proteolytic complex (ClpP1P2) from Mycobacterium smegmatis.
Sci Rep, 9, 2019
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6PN1
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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5GAR
 | | Thermus thermophilus V/A-ATPase, conformation 1 | | Descriptor: | Archaeal/vacuolar-type H+-ATPase subunit I, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | | Authors: | Schep, D.G, Zhao, J, Rubinstein, J.L. | | Deposit date: | 2016-02-05 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | Models for the a subunits of the Thermus thermophilus V/A-ATPase and Saccharomyces cerevisiae V-ATPase enzymes by cryo-EM and evolutionary covariance.
Proc.Natl.Acad.Sci.USA, 113, 2016
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