4DEA
 
 | | Aurora A in complex with YL1-038-18 | | Descriptor: | 1,2-ETHANEDIOL, 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
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4DFY
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1QPW
 | | CRYSTAL STRUCTURE DETERMINATION OF PORCINE HEMOGLOBIN AT 1.8A RESOLUTION | | Descriptor: | OXYGEN MOLECULE, PORCINE HEMOGLOBIN (ALPHA SUBUNIT), PORCINE HEMOGLOBIN (BETA SUBUNIT), ... | | Authors: | Lu, T.-H, Panneerselvam, K, Liaw, Y.-C, Kan, P, Lee, C.-J. | | Deposit date: | 1999-05-30 | | Release date: | 1999-06-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure determination of porcine haemoglobin.
Acta Crystallogr.,Sect.D, 56, 2000
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4DY0
 | | Crystal structure of native protease nexin-1 with heparin | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, GLYCEROL, Glia-derived nexin, ... | | Authors: | Huntington, J.A, Li, W. | | Deposit date: | 2012-02-28 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structures of protease nexin-1 in complex with heparin and thrombin suggest a 2-step recognition mechanism.
Blood, 120, 2012
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1QQO
 | | E175S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, HYDROLASE (ACTING ON ACID ANHYDRIDES), ... | | Authors: | Johnson, E.R, McKay, D.B. | | Deposit date: | 1999-06-07 | | Release date: | 1999-09-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mapping the role of active site residues for transducing an ATP-induced conformational change in the bovine 70-kDa heat shock cognate protein.
Biochemistry, 38, 1999
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1QQM
 | | D199S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, D199S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN, ... | | Authors: | Johnson, E.R, Mckay, D.B. | | Deposit date: | 1999-06-07 | | Release date: | 1999-09-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mapping the role of active site residues for transducing an ATP-induced conformational change in the bovine 70-kDa heat shock cognate protein.
Biochemistry, 38, 1999
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4DLU
 | | H-Ras Set 1 Ca(OAc)2, on | | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | | Authors: | Holzapfel, G, Mattos, C. | | Deposit date: | 2012-02-06 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
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1QBN
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1QBT
 | | HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY | | Descriptor: | HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE] | | Authors: | Ala, P, Chang, C.-H. | | Deposit date: | 1997-04-25 | | Release date: | 1997-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
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1QCY
 | | THE CRYSTAL STRUCTURE OF THE I-DOMAIN OF HUMAN INTEGRIN ALPHA1BETA1 | | Descriptor: | I-DOMAIN OF INTEGRIN ALPHA1BETA1, MAGNESIUM ION | | Authors: | Kankare, J.A, Salminen, T.A, Nymalm, Y, Kaepylae, J, Heino, J, Johnson, M.S. | | Deposit date: | 1999-05-12 | | Release date: | 2003-09-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Jararhagin-derived RKKH Peptides Induce Structural Changes in a1I Domain of Human Integrin a1b1
J.Biol.Chem., 279, 2004
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4DC4
 | | Lysozyme Trimer | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Sharma, P, Ashish | | Deposit date: | 2012-01-17 | | Release date: | 2013-01-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.654 Å) | | Cite: | Characterization of heat induced spherulites of lysozyme reveals new insight on amyloid initiation
Sci Rep, 6, 2016
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1QG2
 | | CANINE GDP-RAN R76E MUTANT | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (RAN) | | Authors: | Kent, H.M, Moore, M.S, Quimby, B.B, Baker, A.M.E, McCoy, A.J, Murphy, G.A, Corbett, A.H, Stewart, M. | | Deposit date: | 1999-04-20 | | Release date: | 1999-06-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineered mutants in the switch II loop of Ran define the contribution made by key residues to the interaction with nuclear transport factor 2 (NTF2) and the role of this interaction in nuclear protein import.
J.Mol.Biol., 289, 1999
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1QG7
 | | STROMA CELL-DERIVED FACTOR-1ALPHA (SDF-1ALPHA) | | Descriptor: | STROMAL CELL-DERIVED FACTOR 1 ALPHA, SULFATE ION | | Authors: | Senda, T, Nandhagopal, N, Sugimoto, K, Mitsui, Y. | | Deposit date: | 1999-04-21 | | Release date: | 2001-02-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of recombinant native SDF-1alpha with additional mutagenesis studies: an attempt at a more comprehensive interpretation of accumulated structure-activity relationship data.
J.Interferon Cytokine Res., 20, 2000
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4DDC
 | | EVAL processed HEWL, cisplatin DMSO NAG silicone oil | | Descriptor: | Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C | | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | | Deposit date: | 2012-01-18 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
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4DST
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1QNK
 | | TRUNCATED HUMAN GROB[5-73], NMR, 20 STRUCTURES | | Descriptor: | C-X-C motif chemokine 2 | | Authors: | Qian, Y.Q, Johanson, K, McDevitt, P. | | Deposit date: | 1999-10-18 | | Release date: | 2000-02-04 | | Last modified: | 2018-06-13 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance solution structure of truncated human GRObeta [5-73] and its structural comparison with CXC chemokine family members GROalpha and IL-8.
J. Mol. Biol., 294, 1999
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4DPF
 | | BACE-1 in complex with a HEA-macrocyclic type inhibitor | | Descriptor: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-07-11 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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4DD7
 | | EVAL processed HEWL, carboplatin DMSO glycerol | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Lysozyme C, ... | | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | | Deposit date: | 2012-01-18 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
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1QRX
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4DQ3
 | | Bovine beta-lactoglobulin complex with oleic acid | | Descriptor: | Beta-lactoglobulin, ETHANOL, GLYCEROL, ... | | Authors: | Loch, J.I, Lewinski, K. | | Deposit date: | 2012-02-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies.
Int.J.Biol.Macromol., 57, 2013
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4DG2
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4DH3
 | | Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ATP and IP20 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2012-01-27 | | Release date: | 2012-06-27 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
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1Q8W
 | | The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor Fasudil (HA-1077) | | Descriptor: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C, Gassel, M, Hidaka, H, Kinzel, V, Huber, R, Engh, R.A, Bossemeyer, D. | | Deposit date: | 2003-08-22 | | Release date: | 2003-12-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Protein kinase A in complex with Rho-kinase inhibitors Y-27632, Fasudil, and H-1152P: structural basis of selectivity.
Structure, 11, 2003
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4DTZ
 | | cytochrome P450 BM3h-8C8 MRI sensor bound to dopamine | | Descriptor: | L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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1Q97
 | | The structure of the Saccharomyces cerevisiae SR protein kinase, Sky1p, with bound ATP | | Descriptor: | ADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Nolen, B, Ngo, J, Chakrabarti, S, Vu, D, Adams, J.A, Ghosh, G. | | Deposit date: | 2003-08-22 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Nucleotide-Induced Conformational Changes in the Saccharomyces cerevisiae SR Protein Kinase, Sky1p, Revealed by X-ray Crystallography
Biochemistry, 42, 2003
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