1NOW
 
 | | Human lysosomal beta-hexosaminidase isoform B in complex with (2R,3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (GalNAc-isofagomine) | | Descriptor: | (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
|
|
8QYU
 | | Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | Deposit date: | 2023-10-26 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
|
|
2WIZ
 | | Crystal structures of Holliday junction resolvases from Archaeoglobus fulgidus bound to DNA substrate | | Descriptor: | ARCHAEAL HJC, HALF-JUNCTION | | Authors: | Carolis, C, Koehler, C, Sauter, C, Basquin, J, Suck, D, Toeroe, I. | | Deposit date: | 2009-05-18 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal Structures of Holliday Junction Resolvases from Archaeoglobus Fulgidus Bound to DNA Substrate
To be Published
|
|
8QYR
 | | Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten | | Descriptor: | 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | | Deposit date: | 2023-10-26 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction.
Biorxiv, 2023
|
|
2WMS
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | SERINE/THREONINE-PROTEIN KINASE CHK1, [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
|
|
2WMO
 | | Structure of the complex between DOCK9 and Cdc42. | | Descriptor: | CELL DIVISION CONTROL PROTEIN 42 HOMOLOG, DEDICATOR OF CYTOKINESIS PROTEIN 9, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yang, J, Roe, S.M, Barford, D. | | Deposit date: | 2009-07-02 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Activation of Rho Gtpases by Dock Exchange Factors is Mediated by a Nucleotide Sensor.
Science, 325, 2009
|
|
1O08
 | | Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 1-phosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase | | Authors: | Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N. | | Deposit date: | 2003-02-20 | | Release date: | 2003-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003
|
|
3MEP
 | | Crystal Structure of ECA2234 protein from Erwinia carotovora, Northeast Structural Genomics Consortium Target EwR44 | | Descriptor: | uncharacterized protein ECA2234 | | Authors: | Seetharaman, J, Abashidze, M, Forouhar, F, Mao, M, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-14 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Northeast Structural Genomics Consortium Target EwR44
To be Published
|
|
1O25
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with dUMP at 2.4 A resolution | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-20 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
|
|
1NVU
 | | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Margarit, S.M, Sondermann, H, Hall, B.E, Nagar, B, Hoelz, A, Pirruccello, M, Bar-Sagi, D, Kuriyan, J. | | Deposit date: | 2003-02-04 | | Release date: | 2003-04-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural evidence for feedback activation by RasGTP of the Ras-specific nucleotide exchange factor SOS
Cell(Cambridge,Mass.), 112, 2003
|
|
2WIE
 | | High-resolution structure of the rotor ring from a proton dependent ATP synthase | | Descriptor: | ATP SYNTHASE C CHAIN, CYMAL-4 | | Authors: | Pogoryelov, D, Yildiz, O, Faraldo-Gomez, J.D, Meier, T. | | Deposit date: | 2009-05-11 | | Release date: | 2009-09-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | High-Resolution Structure of the Rotor Ring of a Proton-Dependent ATP Synthase.
Nat.Struct.Mol.Biol., 16, 2009
|
|
1O2E
 | | Structure of the triple mutant (K53,56,120M) + Anisic acid complex of phospholipase A2 | | Descriptor: | 4-METHOXYBENZOIC ACID, CALCIUM ION, Phospholipase A2 | | Authors: | Sekar, K, Velmurugan, D, Tsai, M.D. | | Deposit date: | 2003-03-05 | | Release date: | 2003-09-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of the free and anisic acid bound triple mutant of phospholipase A2.
J.Mol.Biol., 333, 2003
|
|
1O2I
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | | Deposit date: | 2003-03-06 | | Release date: | 2003-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
|
|
1O2N
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | | Deposit date: | 2003-03-06 | | Release date: | 2003-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
|
|
1O2U
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | Deposit date: | 2003-03-06 | | Release date: | 2003-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
|
|
2WJ0
 | | Crystal structures of Holliday junction resolvases from Archaeoglobus fulgidus bound to DNA substrate | | Descriptor: | ARCHAEAL HJC, COBALT HEXAMMINE(III), HALF-JUNCTION | | Authors: | Carolis, C, Koehler, C, Sauter, C, Basquin, J, Suck, D, Toeroe, I. | | Deposit date: | 2009-05-18 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structures of Holliday Junction Resolvases from Archaeoglobus Fulgidus Bound to DNA Substrate
To be Published
|
|
1O32
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE, BETA-TRYPSIN, CALCIUM ION | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | Deposit date: | 2003-03-06 | | Release date: | 2003-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
|
|
1O38
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | Deposit date: | 2003-03-06 | | Release date: | 2003-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
|
|
4DW8
 | | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I | | Descriptor: | Haloacid dehalogenase-like hydrolase, SODIUM ION, UNKNOWN LIGAND | | Authors: | Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-24 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.502 Å) | | Cite: | Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I
To be Published
|
|
2WKP
 | | Structure of a photoactivatable Rac1 containing Lov2 Wildtype | | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Wu, Y.I, Frey, D, Lungu, O.I, Jaehrig, A, Schlichting, I, Kuhlman, B, Hahn, K.M. | | Deposit date: | 2009-06-16 | | Release date: | 2009-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Genetically Encoded Photoactivatable Rac Controls the Motility of Living Cells.
Nature, 461, 2009
|
|
1O3G
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | Deposit date: | 2003-03-06 | | Release date: | 2003-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
|
|
1O3M
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | Deposit date: | 2003-03-06 | | Release date: | 2003-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
|
|
2WMQ
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
|
|
2WMX
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
|
|
2WIW
 | | Crystal structures of Holliday junction resolvases from Archaeoglobus fulgidus bound to DNA substrate | | Descriptor: | 5'-D(*DC*DG*DG*DA*DT*DA*DT*DC*DC*DGP)-3', GLYCEROL, HEXANE-1,6-DIOL, ... | | Authors: | Carolis, C, Koehler, C, Sauter, C, Basquin, J, Suck, D, Toeroe, I. | | Deposit date: | 2009-05-18 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of Holliday Junction Resolvases from Archaeoglobus Fulgidus Bound to DNA Substrate
To be Published
|
|
