2R0D
 
 | | Crystal Structure of Autoinhibited Form of Grp1 Arf GTPase Exchange Factor | | Descriptor: | Cytohesin-3, DI(HYDROXYETHYL)ETHER, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ... | | Authors: | DiNitto, J.P, Delprato, A, Gabe Lee, M.T, Cronin, T.C, Huang, S, Guilherme, A, Czech, M.P, Lambright, D.G. | | Deposit date: | 2007-08-18 | | Release date: | 2007-12-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Basis and Mechanism of Autoregulation in 3-Phosphoinositide-Dependent Grp1 Family Arf GTPase Exchange Factors.
Mol.Cell, 28, 2007
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2R4T
 | | Crystal Structure of Wild-type E.coli GS in Complex with ADP and Glucose(wtGSc) | | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sheng, F, Geiger, J. | | Deposit date: | 2007-09-01 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.258 Å) | | Cite: | The crystal structures of the open and catalytically competent closed conformation of Escherichia coli glycogen synthase.
J.Biol.Chem., 284, 2009
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2FXE
 | | X-ray crystal structure of HIV-1 protease CRM mutant complexed with atazanavir (BMS-232632) | | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | | Authors: | Sheriff, S, Klei, H.E. | | Deposit date: | 2006-02-05 | | Release date: | 2007-02-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir.
J.Virol., 81, 2007
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7VFS
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VNP
 | | Structure of human KCNQ4-ML213 complex with PIP2 | | Descriptor: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid, Calmodulin-3, POTASSIUM ION, ... | | Authors: | Xu, F, Zheng, Y. | | Deposit date: | 2021-10-11 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structural insights into the lipid and ligand regulation of a human neuronal KCNQ channel.
Neuron, 110, 2022
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1ERX
 | | CRYSTAL STRUCTURE OF NITROPHORIN 4 COMPLEXED WITH NO | | Descriptor: | 5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX, CITRIC ACID, NITRIC OXIDE, ... | | Authors: | Weichsel, A, Andersen, J.F, Roberts, S.A, Montfort, W.R. | | Deposit date: | 2000-04-06 | | Release date: | 2000-05-03 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Nitric oxide binding to nitrophorin 4 induces complete distal pocket burial.
Nat.Struct.Biol., 7, 2000
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1NE6
 | | Crystal structure of Sp-cAMP binding R1a subunit of cAMP-dependent protein kinase | | Descriptor: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, cAMP-dependent protein kinase type I-alpha regulatory chain | | Authors: | Wu, J, Jones, J.M, Xuong, N.H, Taylor, S.S. | | Deposit date: | 2002-12-10 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of RIalpha Subunit of Cyclic Adenosine 5'-Monophosphate (cAMP)-Dependent Protein Kinase Complexed with (R(p))-Adenosine 3',5'-Cyclic Monophosphothioate and (S(p))-Adenosine 3',5'-Cyclic Monophosphothioate, the Phosphothioate Analogues of cAMP.
Biochemistry, 43, 2004
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2D82
 | | Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association | | Descriptor: | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE, CREB-binding protein | | Authors: | Sachchidanand, Resnick-Silverman, L, Yan, S, Mujtaba, S, Liu, W.J, Zeng, L, Manfredi, J.J, Zhou, M.M. | | Deposit date: | 2005-12-01 | | Release date: | 2006-04-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Target structure-based discovery of small molecules that block human p53 and CREB binding protein association
Chem.Biol., 13, 2006
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1NC1
 | | Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with 5'-methylthiotubercidin (MTH) | | Descriptor: | 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2002-12-04 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
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2K3M
 | | Rv1761c | | Descriptor: | Rv1761c, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Page, R.C, Moore, J.D, Lee, S, Opella, S.J, Cross, T.A. | | Deposit date: | 2008-05-14 | | Release date: | 2009-01-06 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Backbone structure of a small helical integral membrane protein: A unique structural characterization.
Protein Sci., 18, 2009
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1EXR
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1NE4
 | | Crystal Structure of Rp-cAMP Binding R1a Subunit of cAMP-dependent Protein Kinase | | Descriptor: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, cAMP-dependent protein kinase type I-alpha regulatory chain | | Authors: | Wu, J, Jones, J.M, Xuong, N.H, Taylor, S.S. | | Deposit date: | 2002-12-10 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of RIalpha Subunit of Cyclic Adenosine 5'-Monophosphate (cAMP)-Dependent Protein Kinase Complexed with (R(p))-Adenosine 3',5'-Cyclic Monophosphothioate and (S(p))-Adenosine 3',5'-Cyclic Monophosphothioate, the Phosphothioate Analogues of cAMP.
Biochemistry, 43, 2004
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7VSO
 | | Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with HAD16 Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA | | Descriptor: | 2-[[(2R)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, ... | | Authors: | Mizohata, E, Nakane, T, Hanashima, S. | | Deposit date: | 2021-10-27 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Heavy Atom Detergent/Lipid Combined X-ray Crystallography for Elucidating the Structure-Function Relationships of Membrane Proteins.
Membranes (Basel), 11, 2021
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2J07
 | | Thermus DNA photolyase with 8-HDF antenna chromophore | | Descriptor: | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE, CHLORIDE ION, DEOXYRIBODIPYRIMIDINE PHOTO-LYASE, ... | | Authors: | Klar, T, Kaiser, G, Hennecke, U, Carell, T, Batschauer, A, Essen, L.-O. | | Deposit date: | 2006-08-01 | | Release date: | 2007-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Natural and Non-Natural Antenna Chromophores in the DNA Photolyase from Thermus Thermophilus
Chembiochem, 7, 2006
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2J0M
 | | Crystal structure a two-chain complex between the FERM and kinase domains of focal adhesion kinase. | | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1 | | Authors: | Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J. | | Deposit date: | 2006-08-03 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for the Autoinhibition of Focal Adhesion Kinase.
Cell(Cambridge,Mass.), 129, 2007
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2J0K
 | | Crystal structure of a fragment of focal adhesion kinase containing the FERM and kinase domains. | | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1 | | Authors: | Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J. | | Deposit date: | 2006-08-03 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis for the Autoinhibition of Focal Adhesion Kinase.
Cell(Cambridge,Mass.), 129, 2007
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2J2I
 | | Crystal Structure of the humab PIM1 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, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION | | Authors: | Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S. | | Deposit date: | 2006-08-16 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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7VH0
 | | MT2-remalteon-Gi complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, Melatonin receptor type 1B, ... | | Authors: | Wang, Q.G, Lu, Q.Y. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structural basis of the ligand binding and signaling mechanism of melatonin receptors.
Nat Commun, 13, 2022
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7VGZ
 | | MT1-remalteon-Gi complex | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Q.G, Lu, Q.Y. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of the ligand binding and signaling mechanism of melatonin receptors.
Nat Commun, 13, 2022
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2J0J
 | | Crystal structure of a fragment of focal adhesion kinase containing the FERM and kinase domains. | | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, FOCAL ADHESION KINASE 1 | | Authors: | Lietha, D, Cai, X, Li, Y, Schaller, M.D, Eck, M.J. | | Deposit date: | 2006-08-03 | | Release date: | 2007-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for the Autoinhibition of Focal Adhesion Kinase
Cell(Cambridge,Mass.), 129, 2007
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2ITQ
 | | Crystal structure of EGFR kinase domain G719S mutation in complex with AFN941 | | Descriptor: | 1,2,3,4-Tetrahydrogen Staurosporine, EPIDERMAL GROWTH FACTOR RECEPTOR | | Authors: | Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J. | | Deposit date: | 2006-05-25 | | Release date: | 2007-04-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity
Cancer Cell, 11, 2007
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2IWU
 | | Analogues of radicicol bound to the ATP-binding site of Hsp90 | | Descriptor: | (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | | Deposit date: | 2006-07-04 | | Release date: | 2006-11-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol.
Chem.Biol., 13, 2006
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7VTQ
 | | Cryo-EM structure of mouse NLRP3 (full-length) dodecamer | | Descriptor: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | Authors: | Ohto, U, Shimizu, T. | | Deposit date: | 2021-10-30 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structural basis for the oligomerization-mediated regulation of NLRP3 inflammasome activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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2J4R
 | | Structural Study of the Aquifex aeolicus PPX-GPPA enzyme | | Descriptor: | EXOPOLYPHOSPHATASE, GUANOSINE-5',3'-TETRAPHOSPHATE | | Authors: | Kristensen, O. | | Deposit date: | 2006-09-05 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structure of the Ppx/Gppa Phosphatase from Aquifex Aeolicus in Complex with the Alarmone Ppgpp
J.Mol.Biol., 375, 2008
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2J4G
 | | Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with n-butyl- thiazoline inhibitor | | Descriptor: | (3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Dennis, R.J, Davies, G.J. | | Deposit date: | 2006-08-31 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Analysis of Pugnac and Nag-Thiazoline as Transition State Analogues for Human O-Glcnacase: Mechanistic and Structural Insights Into Inhibitor Selectivity and Transition State Poise.
J.Am.Chem.Soc., 129, 2007
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