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4AME
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BU of 4ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T18A
Descriptor: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
Authors:Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
Deposit date:1999-01-24
Release date:1999-04-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
4ANQ
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BU of 4anq by Molmil
Structure of G1269A Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2012-03-21
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4A7I
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BU of 4a7i by Molmil
Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor
Descriptor: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ...
Authors:Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V.
Deposit date:2011-11-14
Release date:2012-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
3QQL
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BU of 3qql by Molmil
CDK2 in complex with inhibitor L3
Descriptor: (5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-15
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
4A38
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BU of 4a38 by Molmil
METALLO-CARBOXYPEPTIDASE FROM PSEUDOMONAS AUREGINOSA IN COMPLEX WITH L-BENZYLSUCCINIC ACID
Descriptor: L-BENZYLSUCCINIC ACID, METALLO-CARBOXYPEPTIDASE, ZINC ION
Authors:Otero, A, Rodriguez de la Vega, M, Tanco, S.M, Lorenzo, J, Aviles, F.X, Reverter, D.
Deposit date:2011-09-30
Release date:2012-05-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Novel Structure of a Cytosolic M14 Metallocarboxypeptidase (Ccp) from Pseudomonas Aeruginosa: A Model for Mammalian Ccps.
Faseb J., 26, 2012
3OVO
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BU of 3ovo by Molmil
REFINED X-RAY CRYSTAL STRUCTURES OF THE REACTIVE SITE MODIFIED OVOMUCOID INHIBITOR THIRD DOMAINS FROM SILVER PHEASANT (OMSVP3(ASTERISK)) AND FROM JAPANESE QUAIL (OMJPQ3(ASTERISK))
Descriptor: OVOMUCOID THIRD DOMAIN CLEAVED RDI
Authors:Musil, D, Bode, W.
Deposit date:1991-05-13
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Refined X-ray crystal structures of the reactive site modified ovomucoid inhibitor third domains from silver pheasant (OMSVP3*) and from Japanese quail (OMJPQ3*).
J.Mol.Biol., 220, 1991
3RKB
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BU of 3rkb by Molmil
CDK2 in complex with inhibitor RC-2-73
Descriptor: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-17
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3PAL
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BU of 3pal by Molmil
IONIC INTERACTIONS WITH PARVALBUMINS. CRYSTAL STRUCTURE DETERMINATION OF PIKE 4.10 PARVALBUMIN IN FOUR DIFFERENT IONIC ENVIRONMENTS
Descriptor: CALCIUM ION, MAGNESIUM ION, PARVALBUMIN
Authors:Declercq, J.P, Tinant, B, Parello, J, Rambaud, J.
Deposit date:1990-11-08
Release date:1992-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ionic interactions with parvalbumins. Crystal structure determination of pike 4.10 parvalbumin in four different ionic environments.
J.Mol.Biol., 220, 1991
3PNP
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BU of 3pnp by Molmil
THE HIGH RESOLUTION CRYSTAL STRUCTURE OF BOVINE SPLEEN PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX FORMS WITH PHOSPHATE AND 9-DEAZAINOSINE
Descriptor: MAGNESIUM ION, PHOSPHATE ION, PURINE NUCLEOSIDE PHOSPHORYLASE
Authors:Pugmire, M.J, Mao, C, Ealick, S.E.
Deposit date:1998-03-27
Release date:1999-03-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The High Resolution Crystal Structure of Bovine Spleen Purine Nucleoside Phosphorylase in Complex Forms with Phosphate and 9-Deazainosine
To be Published
4AGD
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BU of 4agd by Molmil
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-diethylaminoethyl)-5-((Z)-(5- fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide)
Descriptor: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
Authors:McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A.
Deposit date:2012-01-26
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
3PGA
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BU of 3pga by Molmil
STRUCTURAL CHARACTERIZATION OF PSEUDOMONAS 7A GLUTAMINASE-ASPARAGINASE
Descriptor: GLUTAMINASE-ASPARAGINASE
Authors:Lubkowski, J, Wlodawer, A, Ammon, H.L, Copeland, T.D, Swain, A.L.
Deposit date:1994-07-19
Release date:1994-12-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of Pseudomonas 7A glutaminase-asparaginase.
Biochemistry, 33, 1994
3PBG
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BU of 3pbg by Molmil
6-PHOSPHO-BETA-GALACTOSIDASE FORM-C
Descriptor: 6-PHOSPHO-BETA-D-GALACTOSIDASE, SULFATE ION
Authors:Wiesmann, C, Schulz, G.E.
Deposit date:1997-02-21
Release date:1997-07-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures and mechanism of 6-phospho-beta-galactosidase from Lactococcus lactis.
J.Mol.Biol., 269, 1997
2UXE
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BU of 2uxe by Molmil
The structure of Vaccinia virus N1
Descriptor: HYPOTHETICAL PROTEIN
Authors:Cooray, S, Bahar, M.W, Abrescia, N.G.A, McVey, C.E, Bartlett, N.W, Chen, R.A.-J, Stuart, D.I, Grimes, J.M, Smith, G.L.
Deposit date:2007-03-28
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Functional and Structural Studies of the Vaccinia Virus Virulence Factor N1 Reveal a Bcl-2-Like Anti- Apoptotic Protein
J.Gen.Virol., 88, 2007
4A3N
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BU of 4a3n by Molmil
Crystal Structure of HMG-BOX of Human SOX17
Descriptor: TRANSCRIPTION FACTOR SOX-17, ZINC ION
Authors:Gao, N, Gao, H, Qian, H, Si, S, Xie, Y.
Deposit date:2011-10-01
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Human Transcription Factor Sry-Related Box 17 Binding to DNA.
Protein Pept.Lett., 20, 2013
3S0O
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BU of 3s0o by Molmil
CDK2 in complex with inhibitor RC-1-138
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-05-13
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
4A78
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BU of 4a78 by Molmil
cytochrome c peroxidase M119W in complex with guiacol
Descriptor: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, Guaiacol, ...
Authors:Murphy, E.J, Metcalfe, C.L, Raven, E.L, Moody, P.C.E.
Deposit date:2011-11-11
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase.
FEBS J., 279, 2012
4A6Y
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BU of 4a6y by Molmil
CRYSTAL STRUCTURE OF FAB FRAGMENT OF ANTI-(4-HYDROXY-3-NITROPHENYL) -ACETYL MURINE GERMLINE ANTIBODY BBE6.12H3
Descriptor: ANTIBODY BBE6.12H3 HEAVY CHAIN, ANTIBODY BBE6.12H3 LIGHT CHAIN
Authors:Khan, T, Salunke, D.M.
Deposit date:2011-11-10
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Elucidation of the Mechanistic Basis of Degeneracy in the Primary Humoral Response.
J.Immunol., 188, 2012
3PBF
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BU of 3pbf by Molmil
Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) complexed with glycerol
Descriptor: CALCIUM ION, GLYCEROL, Pulmonary surfactant-associated protein A
Authors:Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A.
Deposit date:2010-10-20
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
4AI8
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BU of 4ai8 by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE
Descriptor: DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
Authors:King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
3S1H
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BU of 3s1h by Molmil
CDK2 in complex with inhibitor RC-2-39
Descriptor: 4-{[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-05-15
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3MUC
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BU of 3muc by Molmil
MUCONATE CYCLOISOMERASE VARIANT I54V
Descriptor: MANGANESE (II) ION, PROTEIN (MUCONATE CYCLOISOMERASE)
Authors:Schell, U, Helin, S, Kajander, T, Schlomann, M, Goldman, A.
Deposit date:1998-10-27
Release date:1999-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the activity of two muconate cycloisomerase variants toward substituted muconates.
Proteins, 34, 1999
3MUN
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BU of 3mun by Molmil
APPEP_PEPCLOSE closed state
Descriptor: GLYCEROL, Prolyl endopeptidase, SULFATE ION, ...
Authors:Chiu, T.K.
Deposit date:2010-05-03
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Route of Substrate Entry in Prolyl Endopeptidase
TO BE PUBLISHED
3MXC
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BU of 3mxc by Molmil
Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications.
Descriptor: AICD peptide, Growth factor receptor-bound protein 2
Authors:Sen, U, Das, S.
Deposit date:2010-05-07
Release date:2011-05-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional Implications of the Conformational Switch in AICD Peptide upon Binding to Grb2-SH2 Domain.
J.Mol.Biol., 414, 2011
3MTK
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BU of 3mtk by Molmil
X-Ray Structure of Diguanylate cyclase/phosphodiesterase from Caldicellulosiruptor saccharolyticus, Northeast Structural Genomics Consortium Target ClR27C
Descriptor: Diguanylate cyclase/phosphodiesterase
Authors:Kuzin, A, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-04-30
Release date:2010-06-02
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Northeast Structural Genomics Consortium Target ClR27C
To be Published
3MXY
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BU of 3mxy by Molmil
Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications.
Descriptor: AICD peptide E683V variant, Growth factor receptor-bound protein 2
Authors:Sen, U, Das, S.
Deposit date:2010-05-08
Release date:2011-05-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional Implications of the Conformational Switch in AICD Peptide upon Binding to Grb2-SH2 Domain.
J.Mol.Biol., 414, 2011

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