1X89
 
 | | Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin S | | Descriptor: | CARBOXYMYCOBACTIN S, Neutrophil gelatinase-associated lipocalin | | Authors: | Holmes, M.A, Paulsene, W, Jide, X, Ratledge, C, Strong, R.K. | | Deposit date: | 2004-08-17 | | Release date: | 2005-01-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Siderocalin (Lcn 2) Also Binds Carboxymycobactins, Potentially Defending against Mycobacterial Infections through Iron Sequestration
Structure, 13, 2005
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2B9F
 | | Crystal structure of non-phosphorylated Fus3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitogen-activated protein kinase FUS3 | | Authors: | Remenyi, A, Good, M.C, Bhattacharyya, R.P, Lim, W.A. | | Deposit date: | 2005-10-11 | | Release date: | 2006-01-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The role of docking interactions in mediating signaling input, output, and discrimination in the yeast MAPK network.
Mol.Cell, 20, 2005
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2R3G
 | | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | | Descriptor: | 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2 | | Authors: | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | | Deposit date: | 2007-08-29 | | Release date: | 2008-01-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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3VUG
 | | Crystal structure of a cysteine-deficient mutant M2 in MAP kinase JNK1 | | Descriptor: | Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION | | Authors: | Nakaniwa, T, Kinoshita, T, Inoue, T. | | Deposit date: | 2012-06-28 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1
Biochemistry, 51, 2012
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1XH6
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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2ANT
 | | THE 2.6 A STRUCTURE OF ANTITHROMBIN INDICATES A CONFORMATIONAL CHANGE AT THE HEPARIN BINDING SITE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose, ANTITHROMBIN | | Authors: | Skinner, R, Abrahams, J.-P, Whisstock, J.C, Lesk, A.M, Carrell, R.W, Wardell, M.R. | | Deposit date: | 1997-01-28 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The 2.6 A structure of antithrombin indicates a conformational change at the heparin binding site.
J.Mol.Biol., 266, 1997
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1XE5
 | | Structure of plasmepsin II in complex of an pepstatin analogue | | Descriptor: | 5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYL ESTER, Plasmepsin 2 | | Authors: | Prade, L. | | Deposit date: | 2004-09-09 | | Release date: | 2005-08-23 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of plasmepsin II in complex of an pepstatin analogue
To be published
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1IBD
 | | X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT V29A | | Descriptor: | COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Stroppolo, M.E, Pesce, A, D'Orazio, M, O'Neill, P, Bordo, D, Rosano, C, Milani, M, Battistoni, A, Bolognesi, M, Desideri, A. | | Deposit date: | 2001-03-28 | | Release date: | 2001-05-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Single mutations at the subunit interface modulate copper reactivity in Photobacterium leiognathi Cu,Zn superoxide dismutase.
J.Mol.Biol., 308, 2001
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3ANQ
 | | human DYRK1A/inhibitor complex | | Descriptor: | (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Nonaka, Y, Hosoya, T, Hagiwara, M, Ito, N. | | Deposit date: | 2010-09-06 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of a novel selective inhibitor of the Down syndrome-related kinase Dyrk1A
Nat Commun, 1, 2010
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1XER
 | | STRUCTURE OF FERREDOXIN | | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN, ZINC ION | | Authors: | Fujii, T, Hata, Y, Moriyama, H, Wakagi, T, Tanaka, N, Oshima, T. | | Deposit date: | 1996-08-28 | | Release date: | 1997-09-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Novel zinc-binding centre in thermoacidophilic archaeal ferredoxins.
Nat.Struct.Biol., 3, 1996
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2ASI
 | | ASPARTIC PROTEINASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARTIC PROTEINASE, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yang, J, Jia, Z, Vandonselaar, M, Kepliakov, P.S.A, Quail, J.W. | | Deposit date: | 1995-12-09 | | Release date: | 1996-08-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the aspartic proteinase from Rhizomucor miehei at 2.15 A resolution.
J.Mol.Biol., 268, 1997
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3GU8
 | | Crystal structure of DAPKL93G with N6-cyclopentyladenosine | | Descriptor: | Death-associated protein kinase 1, N6-cyclopentyladenosine | | Authors: | McNamara, L.K, Schumacher, A.M, Schavocky, J.S, Watterson, D.M, Brunzelle, J.S. | | Deposit date: | 2009-03-28 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of the DAPK gatekeeper mutant with N6-modified adenosine analogs.
To be Published
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2AUP
 | | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin | | Descriptor: | Globin I, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | | Deposit date: | 2005-08-28 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Biochemistry, 44, 2005
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1XGP
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3AT4
 | | Crystal structure of CK2alpha with pyradine derivertive | | Descriptor: | Casein kinase II subunit alpha, [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid | | Authors: | Kinoshita, T. | | Deposit date: | 2010-12-23 | | Release date: | 2011-11-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase
Mol.Cell.Biochem., 356, 2011
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3VQH
 | | Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Pflug, A, Johnson, K.A, Engh, R.A. | | Deposit date: | 2012-03-23 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
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1KWY
 | | Rat mannose protein A complexed with man-a13-man. | | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN A, ... | | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2002-01-30 | | Release date: | 2002-07-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
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1KE9
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({[AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | | Descriptor: | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cell division protein kinase 2 | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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3UOD
 | | Aurora A in complex with RPM1693 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A, ... | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5002 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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3H0Z
 | | Aurora A in complex with a bisanilinopyrimidine | | Descriptor: | 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide, Serine/threonine-protein kinase 6 | | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | | Deposit date: | 2009-04-10 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
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2AOB
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | Descriptor: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, Growth factor receptor-bound protein 2 | | Authors: | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | Deposit date: | 2005-08-12 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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1XR1
 | | Crystal structure of hPim-1 kinase in complex with AMP-PNP at 2.1 A Resolution | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B. | | Deposit date: | 2004-10-13 | | Release date: | 2004-11-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
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1KF7
 | | Atomic Resolution Structure of RNase A at pH 8.0 | | Descriptor: | pancreatic ribonuclease | | Authors: | Berisio, R, Sica, F, Lamzin, V.S, Wilson, K.S, Zagari, A, Mazzarella, L. | | Deposit date: | 2001-11-19 | | Release date: | 2001-12-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Atomic resolution structures of ribonuclease A at six pH values.
Acta Crystallogr.,Sect.D, 58, 2002
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1KE7
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | | Descriptor: | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE, Cell division protein kinase 2 | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.H, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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2AQR
 | | CU/ZN superoxide dismutase from neisseria meningitidis K91Q mutant | | Descriptor: | COPPER (I) ION, COPPER (II) ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D. | | Deposit date: | 2005-08-18 | | Release date: | 2006-10-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | CU/ZN superoxide dismutase from neisseria meningitidis K91Q mutant
To be Published
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