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1XZ2
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wild-type hemoglobin deoxy no-salt
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M.
Deposit date:2004-11-11
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
1HF4
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STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON POLYMORPHIC LYSOZYME CRYSTALS
Descriptor: LYSOZYME, NITRATE ION, SODIUM ION
Authors:Vaney, M.C, Broutin, I, Ries-Kautt, M, Ducruix, A.
Deposit date:2000-11-29
Release date:2001-01-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Effects of Monovalent Anions on Polymorphic Lysozyme Crystals
Acta Crystallogr.,Sect.D, 57, 2001
2D8W
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Structure of HYPER-VIL-trypsin
Descriptor: CALCIUM ION, Cationic trypsin, IODIDE ION
Authors:Miyatake, H, Hasegawa, T, Yamano, A.
Deposit date:2005-12-08
Release date:2006-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:New methods to prepare iodinated derivatives by vaporizing iodine labelling (VIL) and hydrogen peroxide VIL (HYPER-VIL)
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2D93
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Solution structure of the cNMP_binding domain of human Rap guanine nucleotide exchange factor 6
Descriptor: Rap guanine nucleotide exchange factor 6
Authors:Inoue, K, Muto, Y, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-08
Release date:2006-06-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the cNMP_binding domain of human Rap guanine nucleotide exchange factor 6
to be published
1H1X
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Sperm whale Myoglobin mutant T67R S92D
Descriptor: CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zuccotti, S, Bolognesi, M.
Deposit date:2002-07-25
Release date:2003-10-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineering Peroxidase Activity in Myoglobin: The Haem Cavity Structure and Peroxide Activation in the T67R/S92D Mutant and its Derivative Reconstituted with Protohaemin-L-Histidine.
Biochem.J., 377, 2004
1H4W
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Structure of human trypsin IV (brain trypsin)
Descriptor: BENZAMIDINE, CALCIUM ION, TRYPSIN IVA
Authors:Katona, G, Berglund, G.I, Hajdu, J, Graf, L, Szilagyi, L.
Deposit date:2001-05-15
Release date:2002-02-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure reveals basis for the inhibitor resistance of human brain trypsin.
J. Mol. Biol., 315, 2002
1H0W
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Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[cyclohex-3-enyl]methoxypurine
Descriptor: 1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE, CELL DIVISION PROTEIN KINASE 2
Authors:Gibson, A.E, Arris, C.E, Bentley, J, Boyle, F.T, Curtin, N.J, Davies, T.G, Endicott, J.A, Golding, B.T, Grant, S, Griffin, R.J, Jewsbury, P, Johnson, L.N, Mesguiche, V, Newell, D.R, Noble, M.E.M, Tucker, J.A, Whitfield, H.J.
Deposit date:2002-06-27
Release date:2003-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
1W10
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Urokinase type plasminogen activator
Descriptor: N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Jacob, U.
Deposit date:2004-06-15
Release date:2008-05-20
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystals of urokinase type plasminogen activator complexes reveal the binding mode of peptidomimetic inhibitors.
J.Mol.Biol., 328, 2003
1RXP
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STRUCTURE OF TRYPSIN (ORTHORHOMBIC) WITH 1-(4-TERT-BUTYLCARBAMOYL- PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID
Descriptor: 1-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID, CALCIUM ION, SULFATE ION, ...
Authors:Bisacchi, G.S, Jacobson, B.
Deposit date:2003-12-18
Release date:2004-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Solid-phase synthesis and SAR of 4-carboxy-2-azetidinone mechanism-based tryptase inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1JP8
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Sperm Whale met-Myoglobin (room temperature; high pressure)
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, myoglobin
Authors:Urayama, P, Gruner, S.M, Phillips Jr, G.N.
Deposit date:2001-08-01
Release date:2002-01-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Probing substates in sperm whale myoglobin using high-pressure crystallography.
Structure, 10, 2002
1W13
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UROKINASE TYPE PLASMINOGEN ACTIVATOR
Descriptor: N-(BENZYLSULFONYL)-D-SERYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BENZYL)-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Jacob, U.
Deposit date:2004-06-15
Release date:2008-05-20
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors.
J.Mol.Biol., 328, 2003
1W2L
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Cytochrome c domain of caa3 oxygen oxidoreductase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CYTOCHROME OXIDASE SUBUNIT II, ...
Authors:Srinivasan, V, Rajendran, C, Sousa, F.L, Melo, A.M.P, Saraiva, L.M, Pereira, M.M, Santana, M, Teixeira, M, Michel, H.
Deposit date:2004-07-06
Release date:2005-01-19
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure at 1.3 A resolution of Rhodothermus marinus caa(3) cytochrome c domain.
J. Mol. Biol., 345, 2005
3VBX
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Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
2UZN
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Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-30
Release date:2007-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
2D5X
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Crystal structure of carbonmonoxy horse hemoglobin complexed with L35
Descriptor: 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID, CARBON MONOXIDE, Hemoglobin alpha subunit, ...
Authors:Yokoyama, T, Neya, S, Tsuneshige, A, Yonetani, T, Park, S.Y, Tame, J.R.
Deposit date:2005-11-08
Release date:2006-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:R-state haemoglobin with low oxygen affinity: crystal structures of deoxy human and carbonmonoxy horse haemoglobin bound to the effector molecule L35
J.Mol.Biol., 356, 2006
1JME
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BU of 1jme by Molmil
Crystal Structure of Phe393His Cytochrome P450 BM3
Descriptor: BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ost, T.W.B, Munro, A.W, Mowat, C.G, Pesseguiero, A, Fulco, A.J, Cho, A.K, Cheesman, M.A, Walkinshaw, M.D, Chapman, S.K.
Deposit date:2001-07-18
Release date:2001-11-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and spectroscopic analysis of the F393H mutant of flavocytochrome P450 BM3.
Biochemistry, 40, 2001
2D6C
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Crystal structure of myoglobin reconstituted with iron porphycene
Descriptor: IMIDAZOLE, Myoglobin, PORPHYCENE CONTAINING FE
Authors:Hayashi, T, Murata, D, Makino, M, Sugimoto, H, Matsuo, T, Sato, H, Shiro, Y, Hisaeda, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-11-11
Release date:2006-10-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure and peroxidase activity of myoglobin reconstituted with iron porphycene
Inorg.Chem., 45, 2006
1W0X
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Crystal structure of human CDK2 in complex with the inhibitor olomoucine.
Descriptor: CYCLIN-DEPENDENT KINASE 2, OLOMOUCINE
Authors:Schulze-Gahmen, U, Meijer, L, Kim, S.-H.
Deposit date:2004-06-14
Release date:2005-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Modes of Ligand Recognition: Crystal Structures of Cyclin-Dependent Protein Kinase 2 in Complex with ATP and Two Inhibitors, Olomoucine and Isopentenyladenine.
Proteins, 22, 1995
1JN4
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The Crystal Structure of Ribonuclease A in complex with 2'-deoxyuridine 3'-pyrophosphate (P'-5') adenosine
Descriptor: ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINE, Pancreatic Ribonuclease A
Authors:Jardine, A.M, Leonidas, D.D, Jenkins, J.L, Park, C, Raines, R.T, Acharya, K.R, Shapiro, R.
Deposit date:2001-07-23
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cleavage of 3',5'-Pyrophosphate-Linked Dinucleotides by Ribonuclease A and Angiogenin
Biochemistry, 40, 2001
2UZO
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Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-04-30
Release date:2007-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
1JQQ
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Crystal structure of Pex13p(301-386) SH3 domain
Descriptor: PEROXISOMAL MEMBRANE PROTEIN PAS20
Authors:Douangamath, A, Mayans, O, Barnett, P, Distel, B, Wilmanns, M.
Deposit date:2001-08-08
Release date:2002-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Topography for Independent Binding of alpha-Helical and PPII-Helical Ligands to a Peroxisomal SH3 Domain
Mol.Cell, 10, 2002
2D60
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Crystal structure of deoxy human hemoglobin complexed with two L35 molecules
Descriptor: 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID, Hemoglobin alpha subunit, Hemoglobin beta subunit, ...
Authors:Yokoyama, T, Neya, S, Tsuneshige, A, Yonetani, T, Park, S.Y, Tame, J.R.
Deposit date:2005-11-08
Release date:2006-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:R-state haemoglobin with low oxygen affinity: crystal structures of deoxy human and carbonmonoxy horse haemoglobin bound to the effector molecule L35
J.Mol.Biol., 356, 2006
1W84
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p38 Kinase crystal structure in complex with small molecule inhibitor
Descriptor: 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Jhoti, H, Cleasby, A, Devine, L.
Deposit date:2004-09-16
Release date:2005-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
J. Med. Chem., 48, 2005
1W11
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UROKINASE TYPE PLASMINOGEN ACTIVATOR
Descriptor: N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AMINO(IMINO)METHYL]BENZYL}-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Jacob, U.
Deposit date:2004-06-15
Release date:2008-05-20
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors.
J.Mol.Biol., 328, 2003
1W1F
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SH3 DOMAIN OF HUMAN LYN TYROSINE KINASE
Descriptor: TYROSINE-PROTEIN KINASE LYN
Authors:Bauer, F, Schweimer, K, Hoffmann, S, Roesch, P, Sticht, H.
Deposit date:2004-06-17
Release date:2005-07-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of Lyn-SH3 Domain in Complex with a Herpesviral Protein Reveals an Extended Recognition Motif that Enhances Binding Affinity.
Protein Sci., 14, 2005

223532

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