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3VBW
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BU of 3vbw by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile, 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 (2.48 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
2DL2
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KILLER IMMUNOGLOBULIN RECEPTOR 2DL2
Descriptor: PROTEIN (MHC CLASS I NK CELL RECEPTOR PRECURSOR (P58 NATURAL KILLER CELL RECEPTOR CLONE CL-43))
Authors:Sun, P, Snyder, G.
Deposit date:1999-03-08
Release date:1999-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the HLA-Cw3 allotype-specific killer cell inhibitory receptor KIR2DL2
Proc.Natl.Acad.Sci.USA, 96, 1999
2DL4
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BU of 2dl4 by Molmil
Solution structure of the first SH3 domain of Stac protein
Descriptor: Protein Stac
Authors:Qin, X.R, Suetake, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-17
Release date:2006-10-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the first SH3 domain of Stac protein
To be published
1UIA
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ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE HELIX DIPOLE AND CHARGED SIDE CHAINS
Descriptor: LYSOZYME
Authors:Motoshima, H, Ohmura, T, Ueda, T, Imoto, T.
Deposit date:1996-11-26
Release date:1997-11-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fluctuations in free or substrate-complexed lysozyme and a mutant of it detected on x-ray crystallography and comparison with those detected on NMR.
J.Biochem.(Tokyo), 131, 2002
3F88
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glycogen synthase Kinase 3beta inhibitor complex
Descriptor: 3-methylbenzonitrile, 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione, Glycogen synthase kinase-3 beta
Authors:Mol, C.D, Dougan, D.R.
Deposit date:2008-11-11
Release date:2009-03-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009
1UIG
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ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE HELIX DIPOLE AND CHARGED SIDE CHAINS
Descriptor: LYSOZYME
Authors:Motoshima, H, Ohmura, T, Ueda, T, Imoto, T.
Deposit date:1996-11-26
Release date:1997-11-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Analysis of the stability of mutant lysozymes at position 15 using X-ray crystallography.
J.Biochem.(Tokyo), 122, 1997
1KDK
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BU of 1kdk by Molmil
THE STRUCTURE OF THE N-TERMINAL LG DOMAIN OF SHBG IN CRYSTALS SOAKED WITH EDTA
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Sex Hormone-Binding Globulin
Authors:Grishkovskaya, I, Avvakumov, G.V, Hammond, G.L, Muller, Y.A.
Deposit date:2001-11-13
Release date:2002-05-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Resolution of a disordered region at the entrance of the human sex hormone-binding globulin steroid-binding site.
J.Mol.Biol., 318, 2002
1KDQ
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Crystal Structure Analysis of the Mutant S189D Rat Chymotrypsin
Descriptor: CALCIUM ION, CHYMOTRYPSIN B, B CHAIN, ...
Authors:Szabo, E, Bocskei, Z, Naray-Szabo, G, Graf, L, Venekei, I.
Deposit date:2001-11-13
Release date:2003-06-10
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Three Dimensional Structures of S189D Chymotrypsin and D189S Trypsin Mutants: The Effect of Polarity at Site 189 on a Protease-specific Stabilization of the Substrate-binding Site
J.Mol.Biol., 331, 2003
1KE6
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CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
Descriptor: Cell division protein kinase 2, N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
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
2DLY
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BU of 2dly by Molmil
Solution structure of the SH2 domain of murine Fyn-related kinase
Descriptor: Fyn-related kinase
Authors:Endo, H, Hayashi, F, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-20
Release date:2006-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the SH2 domain of murine Fyn-related kinase
To be Published
1KEB
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BU of 1keb by Molmil
Crystal Structure of Double Mutant M37L,P40S E.coli Thioredoxin
Descriptor: COPPER (II) ION, Thioredoxin 1
Authors:Rudresh, Jain, R, Dani, V, Mitra, A, Srivastava, S, Sarma, S.P, Varadarajan, R, Ramakumar, S.
Deposit date:2001-11-15
Release date:2002-11-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Consequences of Replacement of an alpha-helical Pro Residue in E.coli Thioredoxin
PROTEIN ENG., 15, 2002
2DNH
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BU of 2dnh by Molmil
Solution structure of RNA binding domain in Bruno-like 5 RNA binding protein
Descriptor: Bruno-like 5, RNA binding protein
Authors:Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-26
Release date:2006-10-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RNA binding domain in Bruno-like 5 RNA binding protein
To be Published
1UO6
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BU of 1uo6 by Molmil
PORCINE PANCREATIC ELASTASE/Xe-COMPLEX
Descriptor: CHLORIDE ION, ELASTASE 1, GLYCEROL, ...
Authors:Mueller-Dieckmann, C, Polentarutti, M, Djinovic-Carugo, K, Panjikar, S, Tucker, P.A, Weiss, M.S.
Deposit date:2003-09-16
Release date:2003-10-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part II. Data-Collection Wavelength and Scaling Models
Acta Crystallogr.,Sect.D, 60, 2004
1KF2
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BU of 1kf2 by Molmil
Atomic Resolution Structure of RNase A at pH 5.2
Descriptor: SULFATE ION, 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 (1.1 Å)
Cite:Atomic resolution structures of ribonuclease A at six pH values.
Acta Crystallogr.,Sect.D, 58, 2002
2DNO
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BU of 2dno by Molmil
Solution structure of RNA binding domain in Trinucleotide repeat containing 4 variant
Descriptor: trinucleotide repeat containing 4 variant
Authors:Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-26
Release date:2006-10-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RNA binding domain in Trinucleotide repeat containing 4 variant
To be Published
2DPZ
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BU of 2dpz by Molmil
Structure of the complex of phospholipase A2 with N-(4-hydroxyphenyl)- acetamide at 2.1 A resolution
Descriptor: N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL), Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
Authors:Singh, N, Sharma, S, Singh, T.P.
Deposit date:2006-05-18
Release date:2006-06-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phospholipase A2 as a target protein for non-steroidal anti-inflammatory drugs (NSAIDs): Crystal structure of the complex formed between a group II phospholipase A2 and N-(4-hydroxyphenyl) - acetamide at 2.1 resolution
To be Published
1UV5
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BU of 1uv5 by Molmil
GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME
Descriptor: 6-BROMOINDIRUBIN-3'-OXIME, CHLORIDE ION, COBALT (II) ION, ...
Authors:Dajani, R, Pearl, L.H, Roe, S.M.
Deposit date:2004-01-14
Release date:2004-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Gsk-3-Selective Inhibitors Derived from Tyrian Purple Indurubins
Chem.Biol., 10, 2003
2ZMC
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BU of 2zmc by Molmil
Crystal structure of human mitotic checkpoint kinase Mps1 catalytic domain apo form
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
Authors:Chu, M.L.H, Chavas, L.M.G, Douglas, K.T, Eyers, P.A, Tabernero, L.
Deposit date:2008-04-16
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of the catalytic domain of the mitotic checkpoint kinase Mps1 in complex with SP600125.
J.Biol.Chem., 283, 2008
1UOT
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BU of 1uot by Molmil
HUMAN CD55 DOMAINS 3 & 4
Descriptor: COMPLEMENT DECAY-ACCELERATING FACTOR
Authors:Williams, P, Chaudhry, Y, Goodfellow, I.G, Billington, J, Spiller, B, Evans, D.J, Lea, S.M.
Deposit date:2003-09-23
Release date:2003-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mapping Cd55 Function. The Structure of Two Pathogen-Binding Domains at 1.7 A
J.Biol.Chem., 278, 2003
2DP4
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Crystal structure of the complex formed between proteinase K and a human lactoferrin fragment at 2.9 A resolution
Descriptor: 8-mer peptide from Lactotransferrin, Proteinase K
Authors:Singh, A.K, Singh, N, Sharma, S, Bhushan, A, Singh, T.P.
Deposit date:2006-05-05
Release date:2006-05-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the complex formed between proteinase K and a human lactoferrin fragment at 2.9 A resolution
To be Published
2DQJ
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Crystal structure of hyhel-10 FV (wild-type) complexed with hen egg lysozyme at 1.8A resolution
Descriptor: Ig VH,anti-lysozyme, Lysozyme C, lysozyme binding Ig kappa chain V23-J2 region
Authors:Shiroishi, M, Kondo, H, Tsumoto, K, Kumagai, I.
Deposit date:2006-05-26
Release date:2007-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural consequences of mutations in interfacial Tyr residues of a protein antigen-antibody complex. The case of HyHEL-10-HEL
J.Biol.Chem., 282, 2007
2VO6
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Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine
Descriptor: 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
2DRP
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BU of 2drp by Molmil
THE CRYSTAL STRUCTURE OF A TWO ZINC-FINGER PEPTIDE REVEALS AN EXTENSION TO THE RULES FOR ZINC-FINGER/DNA RECOGNITION
Descriptor: DNA (5'-D(*CP*TP*AP*AP*TP*AP*AP*GP*GP*AP*TP*AP*AP*CP*GP*TP*C P*CP*G)-3'), DNA (5'-D(*TP*CP*GP*GP*AP*CP*GP*TP*TP*AP*TP*CP*CP*TP*TP*AP*T P*TP*A)-3'), PROTEIN (TRAMTRACK DNA-BINDING DOMAIN), ...
Authors:Fairall, L, Schwabe, J.W.R, Chapman, L, Finch, J.T, Rhodes, D.
Deposit date:1994-06-06
Release date:1994-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of a two zinc-finger peptide reveals an extension to the rules for zinc-finger/DNA recognition.
Nature, 366, 1993
1UU9
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Structure of human PDK1 kinase domain in complex with BIM-3
Descriptor: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ...
Authors:Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2003-12-16
Release date:2004-03-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU7
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Structure of human PDK1 kinase domain in complex with BIM-2
Descriptor: 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ...
Authors:Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
Deposit date:2003-12-16
Release date:2004-03-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004

223532

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