7XU5
 
 | | Structure of SARS-CoV-2 D614G Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | | Deposit date: | 2022-05-18 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
|
|
7XU3
 | | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | | Deposit date: | 2022-05-18 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
|
|
1ON3
 | | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with methylmalonyl-coenzyme a and methylmalonic acid bound) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CADMIUM ION, METHYLMALONIC ACID, ... | | Authors: | Hall, P.R, Wang, Y.-F, Rivera-Hainaj, R.E, Zheng, X, Pustai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-02-26 | | Release date: | 2003-05-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core
Embo J., 22, 2003
|
|
4F03
 | |
2OPR
 | | Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. | | Descriptor: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K. | | Deposit date: | 2007-01-30 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases.
J.Med.Chem., 50, 2007
|
|
7XU6
 | | Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), incubated in Low pH after 40-Day Storage in PBS, Locked-2 Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... | | Authors: | Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G. | | Deposit date: | 2022-05-18 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
|
|
5OOP
 | | Structure of CHK1 10-pt. mutant complex with AMP-PNP | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-08 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
|
|
1MO8
 | | ATPase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Sodium/Potassium-Transporting ATPase alpha-1 | | Authors: | Hilge, M, Siegal, G, Vuister, G.W, Guentert, P, Gloor, S.M, Abrahams, J.P. | | Deposit date: | 2002-09-08 | | Release date: | 2003-06-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | ATP-induced conformational changes of the nucleotide-binding domain of Na,K-ATPase
Nat.Struct.Biol., 10, 2003
|
|
5OP5
 | | Structure of CHK1 10-pt. mutant complex with pyrrolopyrimidine LRRK2 inhibitor | | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
|
|
4FCY
 | | Crystal structure of the bacteriophage Mu transpososome | | Descriptor: | DNA (13-MER), DNA (49-MER), DNA (68-MER), ... | | Authors: | Montano, S.P, Pigli, Y.Z, Rice, P.A. | | Deposit date: | 2012-05-25 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.706 Å) | | Cite: | The Mu transpososome structure sheds light on DDE recombinase evolution.
Nature, 491, 2012
|
|
5ZK7
 | | Stapled-peptides tailored against initiation of translation | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ACE-ARG-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-LEU-PHE-ARG-NH2, CHLORIDE ION, ... | | Authors: | Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, F, Uhring, M. | | Deposit date: | 2018-03-23 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
|
|
2WV5
 | | Crystal structure of foot-and-mouth disease virus 3C protease in complex with a decameric peptide corresponding to the VP1-2A cleavage junction with a GLN to Glu substitution at P1 | | Descriptor: | FOOT AND MOUTH DISEASE VIRUS (SEROTYPE A) VARIANT VP1 CAPSID PROTEIN, PICORNAIN 3C | | Authors: | Zunszain, P.A, Knox, S.R, Sweeney, T.R, Yang, J, Roque-Rosell, N, Belsham, G.J, Leatherbarrow, R.J, Curry, S. | | Deposit date: | 2009-10-13 | | Release date: | 2009-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insights Into Cleavage Specificity from the Crystal Structure of Foot-and-Mouth Disease Virus 3C Protease Complexed with a Peptide Substrate.
J.Mol.Biol., 395, 2010
|
|
1W2Z
 | | PSAO and Xenon | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMINE OXIDASE, COPPER CONTAINING, ... | | Authors: | Duff, A.P, Trambaiolo, D.M, Cohen, A.E, Ellis, P.J, Juda, G.A, Shepard, E.M, Langley, D.B, Dooley, D.M, Freeman, H.C, Guss, J.M. | | Deposit date: | 2004-07-11 | | Release date: | 2004-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Using Xenon as a Probe for Dioxygen-Binding Sites in Copper Amine Oxidases.
J.Mol.Biol., 344, 2004
|
|
1HQ0
 | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF E.COLI CYTOTOXIC NECROTIZING FACTOR TYPE 1 | | Descriptor: | CYTOTOXIC NECROTIZING FACTOR 1, PHOSPHATE ION | | Authors: | Buetow, L, Flatau, G, Chiu, K, Boquet, P, Ghosh, P. | | Deposit date: | 2000-12-13 | | Release date: | 2001-07-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of the Rho-activating domain of Escherichia coli cytotoxic necrotizing factor 1.
Nat.Struct.Biol., 8, 2001
|
|
1VG4
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima F132A/L128A mutant | | Descriptor: | octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Ko, T.P, Chou, C.C, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-04-23 | | Release date: | 2004-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A molecular ruler for chain elongation catalyzed by octaprenyl pyrophosphate synthase and its structure-based engineering to produce unprecedented long chain trans-prenyl products
Biochemistry, 43, 2004
|
|
2WXL
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with ZSTK474. | | Descriptor: | 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
|
|
2ORH
 | |
2F4J
 | | Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680 | | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Young, M.A, Shah, N.P, Chao, L.H, Zarrinkar, P, Sawyers, P, Kuriyan, J. | | Deposit date: | 2005-11-23 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of the kinase domain of an imatinib-resistant Abl mutant in complex with the Aurora kinase inhibitor VX-680.
Cancer Res., 66, 2006
|
|
7G93
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1565771450 | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
|
|
7G94
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1575337975 | | Descriptor: | (2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
|
|
2ORF
 | |
7G81
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474512 | | Descriptor: | 1-(2-ethoxyphenyl)piperazine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
|
|
1MER
 | | HIV-1 MUTANT (I84V) PROTEASE COMPLEXED WITH DMP450 | | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | | Authors: | Ala, P, Chang, C.-H. | | Deposit date: | 1997-04-11 | | Release date: | 1998-04-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors.
Biochemistry, 36, 1997
|
|
7G89
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1192341021 | | Descriptor: | 1-(5-amino-2H-isoindol-2-yl)ethan-1-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
|
|
7G8C
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1037511924 | | Descriptor: | 1-(difluoromethyl)-1H-indol-5-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.176 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
|
|
