3MN9
 
 | | Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ... | | Authors: | Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A. | | Deposit date: | 2010-04-21 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3GFT
 | | Human K-Ras (Q61H) in complex with a GTP analogue | | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-02-27 | | Release date: | 2009-03-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Human K-Ras in complex with a GTP analogue
To be Published
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4GLM
 | | Crystal structure of the SH3 Domain of DNMBP protein [Homo sapiens] | | Descriptor: | Dynamin-binding protein, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Guan, X, Huang, H, Tempel, W, Gu, J, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-08-14 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the SH3 Domain of DNMBP protein [Homo sapiens]
to be published
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3MNX
 | | Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fourth stage of radiation damage | | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | | Authors: | Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. | | Deposit date: | 2010-04-22 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.386 Å) | | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
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3GGV
 | | HIV Protease, pseudo-symmetric inhibitors | | Descriptor: | V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate | | Authors: | Stoll, V.S. | | Deposit date: | 2009-03-02 | | Release date: | 2009-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus
protease inhibitors (A-792611 and A-790742) with potential for convenient
dosing and reduced side effects.
J.Med.Chem., 52, 2009
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3ZPU
 | | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | | Deposit date: | 2013-03-01 | | Release date: | 2013-11-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
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4GLY
 | | Human urokinase-type plasminogen activator uPA in complex with the two-disulfide bridge peptide UK504 | | Descriptor: | BICYCLIC PEPTIDE INHIBITOR UK504, CHLORIDE ION, GLYCEROL, ... | | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | | Deposit date: | 2012-08-15 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.518 Å) | | Cite: | Bicyclic Peptide Ligands Pulled out of Cysteine-Rich Peptide Libraries.
J.Am.Chem.Soc., 135, 2013
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3ME6
 | | Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel | | Descriptor: | Clopidogrel, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gay, S.C, Roberts, A.G, Maekawa, K, Talakad, J.C, Hong, W.X, Zhang, Q, Stout, C.D, Halpert, J.R. | | Deposit date: | 2010-03-31 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
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3GI6
 | | Crystal structure of protease inhibitor, AD78 in complex with wild type HIV-1 protease | | Descriptor: | (5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2009-03-05 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
J.Virol., 84, 2010
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4GN5
 | | OBody AM3L15 bound to hen egg-white lysozyme | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, GLYCEROL, ... | | Authors: | Steemson, J.D, Liddament, M.T. | | Deposit date: | 2012-08-16 | | Release date: | 2013-08-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Tracking Molecular Recognition at the Atomic Level with a New Protein Scaffold Based on the OB-Fold.
Plos One, 9, 2014
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4GBQ
 | | SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, 15 STRUCTURES | | Descriptor: | GRB2, SOS-1 | | Authors: | Wittekind, M, Mapelli, C, Lee, V, Goldfarb, V, Friedrichs, M.S, Meyers, C.A, Mueller, L. | | Deposit date: | 1996-12-23 | | Release date: | 1997-09-04 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
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4GCR
 | | STRUCTURE OF THE BOVINE EYE LENS PROTEIN GAMMA-B (GAMMA-II)-CRYSTALLIN AT 1.47 ANGSTROMS | | Descriptor: | GAMMA-B CRYSTALLIN | | Authors: | Slingsby, C, Najmudin, S, Nalini, V, Driessen, H.P.C, Blundell, T.L, Moss, D.S, Lindley, P. | | Deposit date: | 1992-04-02 | | Release date: | 1993-10-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure of the bovine eye lens protein gammaB(gammaII)-crystallin at 1.47 A.
Acta Crystallogr.,Sect.D, 49, 1993
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4GN4
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3MJP
 | | Crystal structure determination of Japanese quail (Coturnix coturnix japonica) hemoglobin at 2.76 Angstrom resolution | | Descriptor: | Hemoglobin subunit alpha-A, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | Authors: | Thenmozhi, M, Sathya Moorthy, P, Balasubramanian, M, Ponnuswamy, M.N. | | Deposit date: | 2010-04-13 | | Release date: | 2010-12-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Crystal structure determination of Japanese quail (Coturnix coturnix japonica) hemoglobin at 2.76 Angstrom resolution
To be Published
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3ZPT
 | | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | | Deposit date: | 2013-03-01 | | Release date: | 2013-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
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4BQB
 | | Crystal structure of the FN5 and FN6 domains of NEO1, form 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NEOGENIN | | Authors: | Bell, C.H, Healey, E, van Erp, S, Bishop, B, Tang, C, Gilbert, R.J.C, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | | Deposit date: | 2013-05-30 | | Release date: | 2013-06-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Repulsive Guidance Molecule (Rgm)-Neogenin Signaling Hub
Science, 341, 2013
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3LZS
 | | Crystal Structure of HIV-1 CRF01_AE Protease in Complex with Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 protease | | Authors: | Schiffer, C.A, Bandaranayake, R.M. | | Deposit date: | 2010-03-01 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways.
J.Virol., 84, 2010
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4GPO
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3G8T
 | | Crystal structure of the G33A mutant Bacillus anthracis glmS ribozyme bound to GlcN6P | | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, RNA (5'-R(*AP*(A2M)P*GP*CP*GP*CP*CP*AP*GP*AP*AP*CP*U)-3'), ... | | Authors: | Strobel, S.A, Cochrane, J.C, Lipchock, S.V, Smith, K.D. | | Deposit date: | 2009-02-12 | | Release date: | 2009-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and chemical basis for glucosamine 6-phosphate binding and activation of the glmS ribozyme
Biochemistry, 48, 2009
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4A6L
 | | beta-tryptase inhibitor | | Descriptor: | 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine, TRYPTASE ALPHA/BETA-1 | | Authors: | Mathieu, M, Maignan, S. | | Deposit date: | 2011-11-04 | | Release date: | 2012-01-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based Library Design and the Discovery of a Potent and Selective Mast Cell Beta-Tryptase Inhibitor as an Oral Therapeutic Agent.
Bioorg.Med.Chem.Lett., 22, 2012
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3UZA
 | | Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine | | Descriptor: | 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine, Adenosine receptor A2a | | Authors: | Congreve, M, Andrews, S.P, Dore, A.S, Hollenstein, K, Hurrell, E, Langmead, C.J, Mason, J.S, Ng, I.W, Tehan, B, Zhukov, A, Weir, M, Marshall, F.H. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.273 Å) | | Cite: | Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55, 2012
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4GR7
 | | The human W42R Gamma D-Crystallin Mutant Structure at 1.7A Resolution | | Descriptor: | Gamma-crystallin D, PHOSPHATE ION | | Authors: | Ji, F, Jung, J, Koharudin, L.M.I, Gronenborn, A.M. | | Deposit date: | 2012-08-24 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The human W42R gamma D-crystallin mutant structure provides a link between congenital and age-related cataracts.
J.Biol.Chem., 288, 2013
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3G70
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | Descriptor: | (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | Deposit date: | 2009-02-09 | | Release date: | 2009-06-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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4C9F
 | | Structure of SIGN-R1 in complex with Sulfodextran | | Descriptor: | 4-O-sulfo-alpha-D-glucopyranose, CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, ... | | Authors: | Silva-Martin, N, Bartual, S.G, Rodriguez, A, Ramirez, E, Chacon, P, Anthony, R.M, Park, C.G, Hermoso, J.A. | | Deposit date: | 2013-10-02 | | Release date: | 2014-10-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1
Structure, 22, 2014
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4GSO
 | | structure of Jararacussin-I | | Descriptor: | Thrombin-like enzyme BjussuSP-1 | | Authors: | Ullah, A, Souza, T.C.A.B, Zanphorlin, L.M, Mariutti, R, Sanata, S.V, Murakami, M.T, Arni, R.K. | | Deposit date: | 2012-08-28 | | Release date: | 2012-12-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Jararacussin-I: The highly negatively charged catalytic interface contributes to macromolecular selectivity in snake venom thrombin-like enzymes.
Protein Sci., 22, 2013
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