7AYH
 
 | | Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2c) | | Descriptor: | 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A | | Authors: | Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-12 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors.
Molecules, 26, 2021
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2IJ2
 | | Atomic structure of the heme domain of flavocytochrome P450-BM3 | | Descriptor: | Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Helen, H.S, Leys, D. | | Deposit date: | 2006-09-29 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
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4KBK
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2NYJ
 | | Crystal structure of the ankyrin repeat domain of TRPV1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily V member 1 | | Authors: | Jin, X, Gaudet, R. | | Deposit date: | 2006-11-20 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Ankyrin Repeats of TRPV1 Bind Multiple Ligands and Modulate Channel Sensitivity.
Neuron, 54, 2007
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7B31
 | | MST3 in complex with compound MRIA9 | | Descriptor: | 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one, Serine/threonine-protein kinase 24 | | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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2J7T
 | | Crystal structure of human serine threonine kinase-10 bound to SU11274 | | Descriptor: | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE, ACETATE ION, CALCIUM ION, ... | | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Das, S, Debreczeni, J, Sobott, F, Watt, S, Savitsky, P, Eswaran, J, Turnbull, A.P, Papagrigoriou, E, Ugochukwa, E, Gorrec, F, Umeano, C.C, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | | Deposit date: | 2006-10-17 | | Release date: | 2006-11-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
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7B6F
 | | GSK3-beta in complex with compound (S)-5c | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile, Glycogen synthase kinase-3 beta, ... | | Authors: | Tesch, R, Andreev, S, Koch, P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-07 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | GSK3-beta in complex with compound (S)-5c
To be published
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2OJJ
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2O4P
 | | Crystal Structure of HIV-1 Protease (Q7K) in Complex with Tipranavir | | Descriptor: | GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease | | Authors: | Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | | Deposit date: | 2006-12-04 | | Release date: | 2006-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
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2IT5
 | | Crystal Structure of DCSIGN-CRD with man6 | | Descriptor: | CALCIUM ION, CD209 antigen, DCSIGN-CRD, ... | | Authors: | Weis, W.I, Feinberg, H, Castelli, R, Drickamer, K, Seeberger, P.H. | | Deposit date: | 2006-10-19 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Multiple modes of binding enhance the affinity of DC-SIGN for high mannose N-linked glycans found on viral glycoproteins.
J.Biol.Chem., 282, 2007
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4KIN
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4KKE
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7AQB
 | | Crystal structure of human mitogen activated protein kinase 6 (MAPK6) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Mitogen-activated protein kinase 6 | | Authors: | Filippakopoulos, P, Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-10-20 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3.
Int J Mol Sci, 21, 2020
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2O5M
 | | Manganese horse heart myoglobin, azide modified | | Descriptor: | AZIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING MN, ... | | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | | Deposit date: | 2006-12-06 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations.
J.Inorg.Biochem., 102, 2008
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2IDW
 | | Crystal structure analysis of HIV-1 protease mutant V82A with a potent non-peptide inhibitor (UIC-94017) | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2006-09-15 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
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2OK9
 | | PrTX-I-BPB | | Descriptor: | ISOPROPYL ALCOHOL, Phospholipase A2 homolog 1, p-Bromophenacyl bromide | | Authors: | Marchi-Salvador, D.P, Fernandes, C.A.H, Soares, A.M, Fontes, M.R. | | Deposit date: | 2007-01-16 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of a phospholipase A(2) homolog complexed with p-bromophenacyl bromide reveals important structural changes associated with the inhibition of myotoxic activity.
Biochim.Biophys.Acta, 1794, 2009
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2O87
 | | S. aureus thioredoxin P31S mutant | | Descriptor: | Thioredoxin | | Authors: | Roos, G, Loris, R, Messens, J. | | Deposit date: | 2006-12-12 | | Release date: | 2007-07-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The conserved active site proline determines the reducing power of Staphylococcus aureus thioredoxin
J.Mol.Biol., 368, 2007
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2J4T
 | | Biological and Structural Features of Murine Angiogenin-4, an Angiogenic Protein | | Descriptor: | ANGIOGENIN-4 | | Authors: | Crabtree, B, Holloway, D.E, Baker, M.D, Acharya, K.R, Subramanian, V. | | Deposit date: | 2006-09-05 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Biological and Structural Features of Murine Angiogenin-4, an Angiogenic Protein
Biochemistry, 46, 2007
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2O9Q
 | | The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K | | Descriptor: | CALCIUM ION, Cationic trypsin, ORB2K, ... | | Authors: | Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R. | | Deposit date: | 2006-12-14 | | Release date: | 2007-12-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift
To be Published
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2J8J
 | | Solution Structure of the A4 Domain of Blood Coagulation Factor XI | | Descriptor: | COAGULATION FACTOR XI | | Authors: | Samuel, D, Cheng, H, Riley, P.W, Canutescu, A.A, Bu, Z, Walsh, P.N, Roder, H. | | Deposit date: | 2006-10-25 | | Release date: | 2007-10-02 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the A4 Domain of Factor Xi Sheds Light on the Mechanism of Zymogen Activation.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2NRM
 | | S-nitrosylated blackfin tuna myoglobin | | Descriptor: | GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Schreiter, E.R, Rodr guez, M.M, Weichsel, A, Montfort, W.R, Bonaventura, J. | | Deposit date: | 2006-11-02 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | S-nitrosylation-induced conformational change in blackfin tuna myoglobin.
J.Biol.Chem., 282, 2007
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2O3D
 | | Structure of human SF2/ASF RNA recognition motif 2 (RRM2) | | Descriptor: | Splicing factor, arginine/serine-rich 1 | | Authors: | Tintaru, A.M, Hautbergue, G.M, Hounslow, A.M, Lian, L.Y, Craven, C.J, Wilson, S.A. | | Deposit date: | 2006-12-01 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structural and functional analysis of RNA and TAP binding to SF2/ASF.
Embo Rep., 8, 2007
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2HCI
 | | Structure of Human Mip-3a Chemokine | | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, SULFITE ION, ... | | Authors: | Malik, Z.A, Tack, B.F. | | Deposit date: | 2006-06-16 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure of human MIP-3alpha chemokine.
Acta Crystallogr.,Sect.F, 62, 2006
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2OAH
 | | Crystal Structure of Human Beta Secretase Complexed with inhibitor | | Descriptor: | Beta-secretase 1, N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE | | Authors: | Munshi, S. | | Deposit date: | 2006-12-15 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and SAR of isonicotinamide BACE-1 inhibitors that bind beta-secretase in a N-terminal 10s-loop down conformation.
Bioorg.Med.Chem.Lett., 17, 2007
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2O89
 | | S. aureus thioredoxin P31T/C32S mutant | | Descriptor: | Thioredoxin | | Authors: | Roos, G, Loris, R, Messens, J. | | Deposit date: | 2006-12-12 | | Release date: | 2007-07-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The conserved active site proline determines the reducing power of Staphylococcus aureus thioredoxin
J.Mol.Biol., 368, 2007
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