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1K2I
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BU of 1k2i by Molmil
Crystal Structure of Gamma-Chymotrypsin in Complex with 7-Hydroxycoumarin
Descriptor: 2,4-DIHYDROXY-TRANS CINNAMIC ACID, CHYMOTRYPSINOGEN A, SULFATE ION
Authors:Ghani, U, Ng, K.K.S, Atta-ur-Rahman, Choudhary, M.I, Ullah, N, James, M.N.G.
Deposit date:2001-09-27
Release date:2001-12-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of gamma-chymotrypsin in complex with 7-hydroxycoumarin.
J.Mol.Biol., 314, 2001
2WTV
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BU of 2wtv by Molmil
Aurora-A Inhibitor Structure
Descriptor: 1,2-ETHANEDIOL, 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, ACETATE ION, ...
Authors:Kosmopoulou, M, Bayliss, R.
Deposit date:2009-09-22
Release date:2010-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design.
Biochem.J., 427, 2010
2C6K
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BU of 2c6k by Molmil
Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor
Descriptor: 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2005-11-10
Release date:2005-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
1K1N
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BU of 1k1n by Molmil
BOVINE TRYPSIN-INHIBITOR COMPLEX
Descriptor: CALCIUM ION, TRYPSIN, [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE
Authors:Stubbs, M.T.
Deposit date:2001-09-25
Release date:2001-11-28
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1X9F
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BU of 1x9f by Molmil
Hemoglobin Dodecamer from Lumbricus Erythrocruorin
Descriptor: CARBON MONOXIDE, Globin II, extracellular, ...
Authors:Strand, K, Knapp, J.E, Bhyravbhatla, B, Royer Jr, W.E.
Deposit date:2004-08-20
Release date:2004-11-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the hemoglobin dodecamer from lumbricus erythrocruorin: allosteric core of giant annelid respiratory complexes
J.Mol.Biol., 344, 2004
1XAR
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BU of 1xar by Molmil
Crystal Structure of a fragment of DC-SIGNR (containing the carbohydrate recognition domain and two repeats of the neck).
Descriptor: CD209 antigen-like protein 1, SODIUM ION
Authors:Feinberg, H, Guo, Y, Mitchell, D.A, Drickamer, K, Weis, W.I.
Deposit date:2004-08-26
Release date:2004-11-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Extended Neck Regions Stabilize Tetramers of the Receptors DC-SIGN and DC-SIGNR
J.Biol.Chem., 280, 2005
2BQD
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BU of 2bqd by Molmil
CONTRIBUTION OF HYDROPHOBIC EFFECT TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Yutani, K.
Deposit date:1998-05-21
Release date:1998-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A general rule for the relationship between hydrophobic effect and conformational stability of a protein: stability and structure of a series of hydrophobic mutants of human lysozyme.
J.Mol.Biol., 280, 1998
1H6M
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BU of 1h6m by Molmil
Covalent glycosyl-enzyme intermediate of hen egg white lysozyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION
Authors:Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G.
Deposit date:2001-06-19
Release date:2001-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate
Nature, 412, 2001
3G90
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BU of 3g90 by Molmil
JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one
Descriptor: (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Xie, X, Jacobs, M.D.
Deposit date:2009-02-12
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1HCL
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BU of 1hcl by Molmil
HUMAN CYCLIN-DEPENDENT KINASE 2
Descriptor: HUMAN CYCLIN-DEPENDENT KINASE 2
Authors:Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H.
Deposit date:1996-06-03
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
J.Med.Chem., 39, 1996
2BLJ
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BU of 2blj by Molmil
Structure of L29W MbCO
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nienhaus, K, Ostermann, A, Nienhaus, G.U, Parak, F.G, Schmidt, M.
Deposit date:2005-03-04
Release date:2005-04-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand Migration and Protein Fluctuations in Myoglobin Mutant L29W
Biochemistry, 44, 2005
1HAQ
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BU of 1haq by Molmil
FOUR MODELS OF HUMAN FACTOR H DETERMINED BY SOLUTION SCATTERING CURVE-FITTING AND HOMOLOGY MODELLING
Descriptor: COMPLEMENT FACTOR H
Authors:Aslam, M, Perkins, S.J.
Deposit date:2001-04-06
Release date:2002-04-05
Last modified:2024-05-08
Method:SOLUTION SCATTERING
Cite:Folded-Back Solution Structure of Monomeric Factor H of Human Complement by Synchrotron X-Ray and Neutron Scattering, Analytical Ultracentrifugation and Constrained Molecular Modelling.
J.Mol.Biol., 309, 2001
1XCM
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BU of 1xcm by Molmil
Crystal structure of the GppNHp-bound H-Ras G60A mutant
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Transforming protein p21/H-Ras-1
Authors:Ford, B, Nassar, N.
Deposit date:2004-09-02
Release date:2005-05-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of the GppNHp-bound form of the RasG60A mutant
To be Published
1XDH
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BU of 1xdh by Molmil
Structure of plasmepsin II in complex with pepstatin A
Descriptor: Pepstatin, Plasmepsin 2
Authors:Prade, L.
Deposit date:2004-09-06
Release date:2005-08-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of plasmepsin II in complex with pepstatin A
To be published
2BLQ
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BU of 2blq by Molmil
Elastase After A High Dose X-Ray "Burn"
Descriptor: CALCIUM ION, ELASTASE 1, SULFATE ION
Authors:Nanao, M.H, Ravelli, R.B.
Deposit date:2005-03-08
Release date:2005-09-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
1XDA
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BU of 1xda by Molmil
STRUCTURE OF INSULIN
Descriptor: CHLORIDE ION, FATTY ACID ACYLATED INSULIN, MYRISTIC ACID, ...
Authors:Whittingham, J.L, Havelund, S, Jonassen, I.
Deposit date:1996-12-18
Release date:1997-07-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a prolonged-acting insulin with albumin-binding properties.
Biochemistry, 36, 1997
1HEP
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BU of 1hep by Molmil
STRUCTURAL AND THERMODYNAMIC ANALYSIS OF COMPENSATING MUTATIONS WITHIN THE CORE OF CHICKEN EGG WHITE LYSOZYME
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Wilson, K.P, Malcolm, B.A, Matthews, B.W.
Deposit date:1992-01-10
Release date:1993-10-31
Last modified:2021-06-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic analysis of compensating mutations within the core of chicken egg white lysozyme.
J.Biol.Chem., 267, 1992
1HFG
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BU of 1hfg by Molmil
NMR solution structure of vMIP-II 1-71 from Kaposi's sarcoma-associated herpesvirus (minimized average structure).
Descriptor: VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II
Authors:Crump, M.P, Elisseeva, E, Gong, J.-H, Clark-Lewis, I, Sykes, B.D.
Deposit date:2000-12-01
Release date:2001-01-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure/Function of Human Herpesvirus-8 Mip-II (1-71) and the Antagonist N-Terminal Segment (1-10)
FEBS Lett., 489, 2001
2X8E
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BU of 2x8e by Molmil
Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
Descriptor: 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2010-03-09
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
1XFE
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BU of 1xfe by Molmil
Solution structure of the LA7-EGFA pair from the LDL receptor
Descriptor: CALCIUM ION, Low-density lipoprotein receptor
Authors:Beglova, N, Jeon, H, Fisher, C, Blacklow, S.C.
Deposit date:2004-09-14
Release date:2004-11-02
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Cooperation between Fixed and Low pH-Inducible Interfaces Controls Lipoprotein Release by the LDL Receptor
Mol.Cell, 16, 2004
2BQL
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BU of 2bql by Molmil
CONTRIBUTION OF HYDROPHOBIC EFFECT TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Yutani, K.
Deposit date:1998-05-21
Release date:1998-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A general rule for the relationship between hydrophobic effect and conformational stability of a protein: stability and structure of a series of hydrophobic mutants of human lysozyme.
J.Mol.Biol., 280, 1998
1GWD
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BU of 1gwd by Molmil
Tri-iodide derivative of hen egg-white lysozyme
Descriptor: 1,2-ETHANEDIOL, CARBON MONOXIDE, CHLORIDE ION, ...
Authors:Evans, G, Bricogne, G.
Deposit date:2002-03-14
Release date:2002-06-06
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment
Acta Crystallogr.,Sect.D, 58, 2002
1TAL
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BU of 1tal by Molmil
ALPHA-LYTIC PROTEASE AT 120 K (SINGLE STRUCTURE MODEL)
Descriptor: ALPHA-LYTIC PROTEASE, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Rader, S.D, Agard, D.A.
Deposit date:1996-10-30
Release date:1997-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational substates in enzyme mechanism: the 120 K structure of alpha-lytic protease at 1.5 A resolution.
Protein Sci., 6, 1997
1GXV
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BU of 1gxv by Molmil
Solution structure of lysozyme at low and high pressure
Descriptor: LYSOZYME C
Authors:Refaee, M, Akasaka, K, Williamson, M.
Deposit date:2002-04-12
Release date:2003-03-27
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Pressure-Dependent Changes in the Solution Structure of Hen Egg-White Lysozyme
J.Mol.Biol., 327, 2003
1GTG
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BU of 1gtg by Molmil
Crystal structure of the thermostable serine-carboxyl type proteinase, kumamolysin (kscp)
Descriptor: CALCIUM ION, KUMAMOLYSIN
Authors:Comellas-Bigler, M, Fuentes-Prior, P, Maskos, K, Huber, R, Oyama, H, Uchida, K, Dunn, B.M, Oda, K, Bode, W.
Deposit date:2002-01-15
Release date:2002-06-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase
Structure, 10, 2002

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