7Y04
 
 | | Hsp90-AhR-p23 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. | | Deposit date: | 2022-06-03 | | Release date: | 2023-01-04 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
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5BSU
 | | Crystal structure of 4-coumarate:CoA ligase complexed with caffeoyl adenylate | | Descriptor: | 4-coumarate--CoA ligase 2, 5'-O-[(R)-{[(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine, GLYCEROL, ... | | Authors: | Li, Z, Nair, S.K. | | Deposit date: | 2015-06-02 | | Release date: | 2016-05-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
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7P1H
 | | Structure of the V. vulnificus ExoY-G-actin-profilin complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Belyy, A, Merino, F, Raunser, S. | | Deposit date: | 2021-07-01 | | Release date: | 2021-11-17 | | Last modified: | 2021-12-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanism of actin-dependent activation of nucleotidyl cyclase toxins from bacterial human pathogens.
Nat Commun, 12, 2021
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6HK4
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | | Descriptor: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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6NL5
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6NVF
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 | | Descriptor: | (4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, (4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, ATP-dependent dethiobiotin synthetase BioD, ... | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-02-05 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8
To Be Published
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6NN0
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and fragment degradation product B9D | | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, ... | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-01-14 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and B9D
To Be Published
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6NVD
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with triazole linked compound 9 | | Descriptor: | 2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-02-05 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with triazole linked compound 9
To Be Published
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6NKA
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6NU6
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 | | Descriptor: | 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, ATP-dependent dethiobiotin synthetase BioD, ... | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-01-31 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.437 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5
To Be Published
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6NVE
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 | | Descriptor: | 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-02-05 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7
To Be Published
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6NWN
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10 | | Descriptor: | 5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine, ATP-dependent dethiobiotin synthetase BioD, CITRIC ACID | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-02-06 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10
To Be Published
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6SC2
 | | Structure of the dynein-2 complex; IFT-train bound model | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 2 light intermediate chain 1, ... | | Authors: | Toropova, K, Zalyte, R, Mukhopadhyay, A.G, Mladenov, M, Carter, A.P, Roberts, A.J. | | Deposit date: | 2019-07-23 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the dynein-2 complex and its assembly with intraflagellar transport trains.
Nat.Struct.Mol.Biol., 26, 2019
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6CZD
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine diphosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION | | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | | Deposit date: | 2018-04-09 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
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5FWK
 | | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | | Authors: | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | | Deposit date: | 2016-02-17 | | Release date: | 2016-07-06 | | Last modified: | 2019-08-21 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase.
Science, 352, 2016
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5FWP
 | | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | | Authors: | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | | Deposit date: | 2016-02-18 | | Release date: | 2016-10-26 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Atomic Structure of Hsp90:Cdc37:Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase.
Science, 352, 2016
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6CVE
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin Synthetase in complex with cytidine triphosphate and 7,8-diaminopelargonic acid | | Descriptor: | 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ATP-dependent dethiobiotin synthetase BioD, CITRATE ANION, ... | | Authors: | Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W. | | Deposit date: | 2018-03-28 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
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3CQU
 | | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | | Descriptor: | Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase | | Authors: | Pandit, J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-05-27 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure based optimization of novel Akt inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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3HVC
 | | Crystal structure of human p38alpha MAP kinase | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14 | | Authors: | Perry, J.J, Tainer, J.A. | | Deposit date: | 2009-06-15 | | Release date: | 2009-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses.
J.Mol.Biol., 391, 2009
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5FWL
 | | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | | Authors: | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | | Deposit date: | 2016-02-18 | | Release date: | 2016-07-06 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase.
Science, 352, 2016
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3CQW
 | | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | | Descriptor: | 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, Glycogen synthase kinase-3 beta, MANGANESE (II) ION, ... | | Authors: | Pandit, J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-05-27 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis and structure based optimization of novel Akt inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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5FWM
 | | Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | | Authors: | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | | Deposit date: | 2016-02-18 | | Release date: | 2016-07-06 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase.
Science, 352, 2016
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3C8Z
 | | The 1.6 A Crystal Structure of MshC: The Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE, Cysteinyl-tRNA synthetase, ... | | Authors: | Tremblay, L.W, Fan, F, Vetting, M.W, Blanchard, J.S. | | Deposit date: | 2008-02-14 | | Release date: | 2008-12-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The 1.6 A crystal structure of Mycobacterium smegmatis MshC: the penultimate enzyme in the mycothiol biosynthetic pathway.
Biochemistry, 47, 2008
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4RV7
 | | Characterization of an essential diadenylate cyclase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Diadenylate cyclase, HEXANE-1,6-DIOL, ... | | Authors: | Dickmanns, A, Neumann, P, Ficner, R. | | Deposit date: | 2014-11-25 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and Biochemical Analysis of the Essential Diadenylate Cyclase CdaA from Listeria monocytogenes.
J.Biol.Chem., 290, 2015
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8GK8
 | | R21A Staphylococcus aureus pyruvate carboxylase | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, COENZYME A, ... | | Authors: | Laseke, A.J, St.Maurice, M. | | Deposit date: | 2023-03-17 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Allosteric Site at the Biotin Carboxylase Dimer Interface Mediates Activation and Inhibition in Staphylococcus aureus Pyruvate Carboxylase.
Biochemistry, 62, 2023
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