2HOH
 
 | | RIBONUCLEASE T1 (N9A MUTANT) COMPLEXED WITH 2'GMP | | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PHOSPHATE ION, ... | | Authors: | Langhorst, U, Loris, R, Denisov, V.P, Doumen, J, Roose, P, Maes, D, Halle, B, Steyaert, J. | | Deposit date: | 1998-09-14 | | Release date: | 1998-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dissection of the structural and functional role of a conserved hydration site in RNase T1.
Protein Sci., 8, 1999
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5E3A
 | | Structure of human DPP3 in complex with opioid peptide leu-enkephalin | | Descriptor: | Dipeptidyl peptidase 3, Leu-enkephalin, MAGNESIUM ION, ... | | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | | Deposit date: | 2015-10-02 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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4BE1
 | | PFV intasome with inhibitor XZ-116 | | Descriptor: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one, ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2012-10-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
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6H7O
 | | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND WEAK PARTIAL AGONIST CYANOPINDOLOL AND NANOBODY Nb6B9 | | Descriptor: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, ... | | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | | Deposit date: | 2018-07-31 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular basis for high-affinity agonist binding in GPCRs.
Science, 364, 2019
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1AGB
 | | ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION) | | Descriptor: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGRKKYKL - 3R MUTATION) | | Authors: | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | | Deposit date: | 1997-03-24 | | Release date: | 1997-06-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
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4UAM
 | | 1.8 Angstrom crystal structure of IMP-1 metallo-beta-lactamase with a mixed iron-zinc center in the active site | | Descriptor: | CITRATE ANION, FE (III) ION, IMP-1 metallo-beta-lactamase, ... | | Authors: | Carruthers, T.J, Carr, P.D, Jackson, C.J, Otting, G. | | Deposit date: | 2014-08-11 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Iron(III) Located in the Dinuclear Metallo-beta-Lactamase IMP-1 by Pseudocontact Shifts.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4FR4
 | | Crystal structure of human serine/threonine-protein kinase 32A (YANK1) | | Descriptor: | 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A | | Authors: | Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-26 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
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1YJ9
 | | Crystal Structure Of The Mutant 50S Ribosomal Subunit Of Haloarcula Marismortui Containing a three residue deletion in L22 | | Descriptor: | 23S Ribosomal RNA, 50S RIBOSOMAL PROTEIN L10E, 50S RIBOSOMAL PROTEIN L11P, ... | | Authors: | Tu, D, Blaha, G, Moore, P.B, Steitz, T.A. | | Deposit date: | 2005-01-13 | | Release date: | 2005-04-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of MLSBK antibiotics bound to mutated large ribosomal subunits provide a structural explanation for resistance.
Cell(Cambridge,Mass.), 121, 2005
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6GXK
 | | Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one, Aldo-keto reductase family 1 member C3, ... | | Authors: | Goyal, P, Wahlgren, W.Y, Friemann, R. | | Deposit date: | 2018-06-27 | | Release date: | 2019-05-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bioisosteres of Indomethacin as Inhibitors of Aldo-Keto Reductase 1C3.
Acs Med.Chem.Lett., 10, 2019
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3N23
 | | Crystal structure of the high affinity complex between ouabain and the E2P form of the sodium-potassium pump | | Descriptor: | MAGNESIUM ION, Na+/K+ ATPase gamma subunit transcript variant a, OUABAIN, ... | | Authors: | Yatime, L, Laursen, M, Morth, J.P, Esmann, M, Nissen, P, Fedosova, N.U. | | Deposit date: | 2010-05-17 | | Release date: | 2011-01-19 | | Last modified: | 2014-09-17 | | Method: | X-RAY DIFFRACTION (4.6 Å) | | Cite: | Structural insights into the high affinity binding of cardiotonic steroids to the Na+,K+-ATPase.
J.Struct.Biol., 174, 2011
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5DKC
 | | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe | | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, Probable global transcription activator SNF2L2, ZINC ION | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Fonseca, M, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | | Deposit date: | 2015-09-03 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe
To Be Published
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2KTT
 | | Solution Structure of a Covalently Bound Pyrrolo[2,1-c][1,4]benzodiazepine-Benzimidazole Hybrid to a 10mer DNA Duplex | | Descriptor: | (11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | | Authors: | Rettig, M, Weingarth, M, Langel, W, Kamal, A, Kumar, P.P, Weisz, K. | | Deposit date: | 2010-02-08 | | Release date: | 2010-03-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a covalently bound pyrrolo[2,1-c][1,4]benzodiazepine-benzimidazole hybrid to a 10mer DNA duplex.
Biochemistry, 48, 2009
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2KU0
 | | Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA | | Descriptor: | (7S)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA | | Authors: | Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R. | | Deposit date: | 2010-02-10 | | Release date: | 2010-04-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Inhibitor-induced structural change in the HCV IRES domain IIa RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6UNZ
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4U63
 | | Crystal structure of a bacterial class III photolyase from Agrobacterium tumefaciens at 1.67A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA photolyase, ... | | Authors: | Scheerer, P, Zhang, F, Kalms, J, von Stetten, D, Krauss, N, Oberpichler, I, Lamparter, T. | | Deposit date: | 2014-07-26 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways.
J.Biol.Chem., 290, 2015
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2KV0
 | | 2-Aminopurine incorporation perturbs the dynamics and structure of DNA | | Descriptor: | DNA (5'-D(*CP*GP*AP*CP*GP*TP*TP*TP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*AP*(2PR)P*AP*CP*GP*TP*CP*G)-3') | | Authors: | Dallmann, A, Dehmel, L, Peters, T, Muegge, C, Griesinger, C.P, Tuma, J, Ernsting, N.P. | | Deposit date: | 2010-03-03 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 2-Aminopurine incorporation perturbs the dynamics and structure of DNA.
Angew.Chem.Int.Ed.Engl., 49, 2010
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4BE2
 | | PFV intasome with inhibitor XZ-259 | | Descriptor: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND) *AP*CP*A)-3', 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide, ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2012-10-08 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
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6UE8
 | | Structure of tetrameric sIgA complex (Class 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin J chain, ... | | Authors: | Kumar, N, Arthur, C.P, Ciferri, C, Matsumoto, M.L. | | Deposit date: | 2019-09-20 | | Release date: | 2020-02-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the secretory immunoglobulin A core.
Science, 367, 2020
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5AQH
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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7E1B
 | | Crystal structure of VbrR-DNA complex | | Descriptor: | DNA (26-MER), DNA-binding response regulator | | Authors: | Hong, S, Zhang, X, Zhang, P. | | Deposit date: | 2021-02-01 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (4.587 Å) | | Cite: | Structural basis of phosphorylation-induced activation of the response regulator VbrR.
Acta Biochim.Biophys.Sin., 2023
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6H77
 | | E1 enzyme for ubiquitin like protein activation in complex with UBL | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Soudah, N, Padala, P, Hassouna, F, Mashahreh, B, Lebedev, A.A, Isupov, M.N, Cohen-Kfir, E, Wiener, R. | | Deposit date: | 2018-07-30 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An N-Terminal Extension to UBA5 Adenylation Domain Boosts UFM1 Activation: Isoform-Specific Differences in Ubiquitin-like Protein Activation.
J.Mol.Biol., 431, 2019
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6ANE
 | | Crystal Structure of Ideonella sakaiensis PET Hydrolase | | Descriptor: | MAGNESIUM ION, Poly(ethylene terephthalate) hydrolase | | Authors: | Galaz-Davison, P, Sotomayor, M, Parra, L.P, Ramirez-Sarmiento, C.A. | | Deposit date: | 2017-08-12 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Active Site Flexibility as a Hallmark for Efficient PET Degradation by I. sakaiensis PETase.
Biophys. J., 114, 2018
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7V82
 | | Cryo-EM structure of SARS-CoV-2 S-Gamma variant (P.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein, ... | | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | | Deposit date: | 2021-08-22 | | Release date: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structure of SARS-CoV-2 S-Gamma variant (P.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1
To Be Published
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4K97
 | | Structure of Ternary Complex of cGAS with dsDNA and Bound ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, DNA-F, ... | | Authors: | Gao, P, Wu, Y, Patel, D.J. | | Deposit date: | 2013-04-19 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
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6H0W
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035 | | Descriptor: | (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2018-07-10 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NS035
To be published
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