Author results

2EFZ
  • Download 2efz
  • View 2efz
Molmil generated image of 2efz
SOLUTION STRUCTURE OF AN M-1 CONOTOXIN WITH A NOVEL DISULFIDE LINKAGE
Descriptor:M conotoxin Mr3.4
Authors:Fang, W.H., Du, W.H., Han, Y.H., Huang, F.J.
Deposit date:2007-02-26
Release date:2007-05-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of an M-1 conotoxin with a novel disulfide linkage
Febs J., 274, 2007
3QCQ
  • Download 3qcq
  • View 3qcq
Molmil generated image of 3qcq
PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 6-(3-AMINO-1H-INDAZOL-6-YL)-N4-ETHYL-2,4-PYRIMIDINEDIAMINE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCS
  • Download 3qcs
  • View 3qcs
Molmil generated image of 3qcs
PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 6-[2-AMINO-6-(4-MORPHOLINYL)-4-PYRIMIDINYL]-1H-INDAZOL-3-AMINE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCX
  • Download 3qcx
  • View 3qcx
Molmil generated image of 3qcx
PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 6-{2-AMINO-6-[(3R)-3-METHYL-4-MORPHOLINYL]-4-PYRIMIDINYL}-1H-INDAZOL-3-AMINE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QCY
  • Download 3qcy
  • View 3qcy
Molmil generated image of 3qcy
PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 4-[2-AMINO-6-(3-AMINO-1H-INDAZOL-6-YL)-4-PYRIMIDINYL]-N-PHENYL-2-MORPHOLINECARBOXAMIDE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD0
  • Download 3qd0
  • View 3qd0
Molmil generated image of 3qd0
PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH (2R,5S)-1-[2-AMINO-6-(3-AMINO-1H-INDAZOL-6-YL)-4-PYRIMIDINYL]-6-METHYL-N-PHENYL-3-PIPERIDINECARBOXAMIDE
Descriptor:3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD3
  • Download 3qd3
  • View 3qd3
Molmil generated image of 3qd3
PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 1,1-DIMETHYLETHYL {(3R,6S)-1-[2-AMINO-6-(3-AMINO-1H-INDAZOL-6-YL)-4-PYRIMIDINYL]-6-METHYL-3-PIPERIDINYL}CARBAMATE
Descriptor:3-phosphoinositide-dependent protein kinase 1, tert-butyl {(3R,6S)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methylpiperidin-3-yl}carbamate, SULFATE ION, ...
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QD4
  • Download 3qd4
  • View 3qd4
Molmil generated image of 3qd4
PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) KINASE DOMAIN WITH 1,1-DIMETHYLETHYL{(3R,5R)-1-[2-AMINO-6-(3-AMINO-1H-INDAZOL-6-YL)-4-PYRIMIDINYL]-5-METHYL-3-PIPERIDINYL}CARBAMATE
Descriptor:3-phosphoinositide-dependent protein kinase 1, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate, SULFATE ION
Authors:Medina, J.R., Becker, C.J., Blackledge, C.W., Duquenne, C., Feng, Y., Grant, S.W., Heerding, D., Li, W.H., Miller, W.H., Romeril, S.P., Scherzer, D., Shu, A., Bobko, M.A., Chadderton, A.R., Dumble, M., Gradiner, C.M., Gilbert, S., Liu, Q., Rabindran, S.K., Sudakin, V., Xiang, H., Brady, P.G., Campobasso, N., Ward, P., Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
1NOY
  • Download 1noy
  • View 1noy
Molmil generated image of 1noy
DNA POLYMERASE (E.C.2.7.7.7)/DNA COMPLEX
Descriptor:DNA (5'-D(*TP*TP*T)-3'), PROTEIN (DNA POLYMERASE (E.C.2.7.7.7)), ZINC ION, ...
Authors:Wang, J., Yu, P., Lin, T.C., Konigsberg, W.H., Steitz, T.A.
Deposit date:1996-02-16
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of an NH2-terminal fragment of T4 DNA polymerase and its complexes with single-stranded DNA and with divalent metal ions.
Biochemistry, 35, 1996
1NOZ
  • Download 1noz
  • View 1noz
Molmil generated image of 1noz
T4 DNA POLYMERASE FRAGMENT (RESIDUES 1-388) AT 110K
Descriptor:DNA POLYMERASE
Authors:Wang, J., Yu, P., Lin, T.C., Konigsberg, W.H., Steitz, T.A.
Deposit date:1996-02-16
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of an NH2-terminal fragment of T4 DNA polymerase and its complexes with single-stranded DNA and with divalent metal ions.
Biochemistry, 35, 1996
1WAF
  • Download 1waf
  • View 1waf
Molmil generated image of 1waf
DNA POLYMERASE FROM BACTERIOPHAGE RB69
Descriptor:DNA POLYMERASE, GUANOSINE
Authors:Wang, J., Satter, A.K.M.A., Wang, C.C., Karam, J.D., Konigsberg, W.H., Steitz, T.A.
Deposit date:1997-04-13
Release date:1998-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a pol alpha family replication DNA polymerase from bacteriophage RB69.
Cell(Cambridge,Mass.), 89, 1997
1WAJ
  • Download 1waj
  • View 1waj
Molmil generated image of 1waj
DNA POLYMERASE FROM BACTERIOPHAGE RB69
Descriptor:DNA POLYMERASE, GUANOSINE-5'-MONOPHOSPHATE
Authors:Wang, J., Satter, A.K.M.A., Wang, C.C., Karam, J.D., Konigsberg, W.H., Steitz, T.A.
Deposit date:1997-04-13
Release date:1998-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a pol alpha family replication DNA polymerase from bacteriophage RB69.
Cell(Cambridge,Mass.), 89, 1997
3CFO
  • Download 3cfo
  • View 3cfo
Molmil generated image of 3cfo
TRIPLE MUTANT APO STRUCTURE
Descriptor:DNA polymerase, SULFATE ION, GUANOSINE
Authors:Wang, J., Klimenko, D., Wang, M., Steitz, T.A., Konigsberg, W.H.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
3CFP
  • Download 3cfp
  • View 3cfp
Molmil generated image of 3cfp
STRUCTURE OF THE REPLICATING COMPLEX OF A POL ALPHA FAMILY DNA POLYMERASE, TERNARY COMPLEX 1
Descriptor:DNA (5'-D(*DAP*DCP*DAP*DGP*DGP*DTP*DAP*DAP*DGP*DCP*DAP*DGP*DTP*DCP*DCP*DGP*DCP*DG)-3'), DNA (5'-D(*DGP*DCP*DGP*DGP*DAP*DCP*DTP*DGP*DCP*DTP*DTP*DAP*DCP*(DOC))-3'), DNA polymerase, ...
Authors:Wang, J., Klimenko, D., Wang, M., Steitz, T.A., Konigsberg, W.H.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
3CFR
  • Download 3cfr
  • View 3cfr
Molmil generated image of 3cfr
STRUCTURE OF THE REPLICATING COMPLEX OF A POL ALPHA FAMILY DNA POLYMERASE, TERNARY COMPLEX 2
Descriptor:DNA (5'-D(*DTP*DCP*DAP*DAP*DGP*DTP*DAP*DAP*DGP*DCP*DAP*DGP*DTP*DCP*DCP*DGP*DCP*DG)-3'), DNA (5'-D(*DGP*DCP*DGP*DGP*DAP*DCP*DTP*DGP*DCP*DTP*DTP*DAP*(DOC))-3'), DNA polymerase, ...
Authors:Wang, J., Klimenko, D., Wang, M., Steitz, T.A., Konigsberg, W.H.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
1BJP
  • Download 1bjp
  • View 1bjp
Molmil generated image of 1bjp
CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY 2-OXO-3-PENTYNOATE AT 2.4 ANGSTROMS RESOLUTION
Descriptor:4-OXALOCROTONATE TAUTOMERASE, 2-OXO-3-PENTENOIC ACID
Authors:Taylor, A.B., Czerwinski, R.M., Johnson Junior, W.H., Whitman, C.P., Hackert, M.L.
Deposit date:1998-06-26
Release date:1998-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of 4-oxalocrotonate tautomerase inactivated by 2-oxo-3-pentynoate at 2.4 A resolution: analysis and implications for the mechanism of inactivation and catalysis.
Biochemistry, 37, 1998
1CZS
  • Download 1czs
  • View 1czs
Molmil generated image of 1czs
CRYSTAL STRUCTURE OF THE C2 DOMAIN OF HUMAN COAGULATION FACTOR V: COMPLEX WITH PHENYLMERCURY
Descriptor:PROTEIN (COAGULATION FACTOR V), PHENYLMERCURY
Authors:Macedo-Ribeiro, S., Bode, W., Huber, R., Kane, W.H., Fuentes-Prior, P.
Deposit date:1999-09-07
Release date:1999-11-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the membrane-binding C2 domain of human coagulation factor V.
Nature, 402, 1999
1CZT
  • Download 1czt
  • View 1czt
Molmil generated image of 1czt
CRYSTAL STRUCTURE OF THE C2 DOMAIN OF HUMAN COAGULATION FACTOR V
Descriptor:PROTEIN (COAGULATION FACTOR V)
Authors:Macedo-Ribeiro, S., Bode, W., Huber, R., Kane, W.H., Fuentes-Prior, P.
Deposit date:1999-09-07
Release date:1999-11-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structures of the membrane-binding C2 domain of human coagulation factor V.
Nature, 402, 1999
1CZV
  • Download 1czv
  • View 1czv
Molmil generated image of 1czv
CRYSTAL STRUCTURE OF THE C2 DOMAIN OF HUMAN COAGULATION FACTOR V: DIMERIC CRYSTAL FORM
Descriptor:PROTEIN (COAGULATION FACTOR V)
Authors:Macedo-Ribeiro, S., Bode, W., Huber, R., Kane, W.H., Fuentes-Prior, P.
Deposit date:1999-09-07
Release date:1999-11-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the membrane-binding C2 domain of human coagulation factor V.
Nature, 402, 1999
1FER
  • Download 1fer
  • View 1fer
Molmil generated image of 1fer
STRUCTURE AT PH 6.5 OF FERREDOXIN I FROM AZOTOBACTER VINELANDII AT 2.3 ANGSTROMS RESOLUTION
Descriptor:FERREDOXIN I, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER
Authors:Merritt, E.A., Stout, G.H., Turley, S., Sieker, L.C., Jensen, L.H., Orme-Johnson, W.H.
Deposit date:1992-09-02
Release date:1993-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure at pH 6.5 of ferredoxin I from Azotobacter vinelandii at 2.3 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
1FNL
  • Download 1fnl
  • View 1fnl
Molmil generated image of 1fnl
CRYSTAL STRUCTURE OF THE EXTRACELLULAR DOMAIN OF A HUMAN FCGRIII
Descriptor:LOW AFFINITY IMMUNOGLOBULIN GAMMA FC REGION RECEPTOR III-B, MERCURY (II) ION
Authors:Zhang, Y., Boesen, C.C., Radaev, S., Brooks, A.G., Fridman, W.H., Sautes-Fridman, C., Sun, P.D.
Deposit date:2000-08-22
Release date:2000-11-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the extracellular domain of a human Fc gamma RIII.
Immunity, 13, 2000
1GPC
  • Download 1gpc
  • View 1gpc
Molmil generated image of 1gpc
CORE GP32, DNA-BINDING PROTEIN
Descriptor:PROTEIN (CORE GP32), ZINC ION
Authors:Shamoo, Y., Friedman, A.M., Parsons, M.R., Konigsberg, W.H., Steitz, T.A.
Deposit date:1995-06-01
Release date:1995-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a replication fork single-stranded DNA binding protein (T4 gp32) complexed to DNA.
Nature, 376, 1995
1I2Z
  • Download 1i2z
  • View 1i2z
Molmil generated image of 1i2z
E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654
Descriptor:ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE
Authors:Heerding, D.A., Miller, W.H., Payne, D.J., Janson, C.A., Qiu, X.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
1I30
  • Download 1i30
  • View 1i30
Molmil generated image of 1i30
E. COLI ENOYL REDUCTASE +NAD+SB385826
Descriptor:ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE
Authors:Seefeld, M.A., Miller, W.H., Payne, D.J., Janson, C.A., Qiu, X.
Deposit date:2001-02-12
Release date:2002-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents.
Bioorg.Med.Chem.Lett., 11, 2001
1IL2
  • Download 1il2
  • View 1il2
Molmil generated image of 1il2
CRYSTAL STRUCTURE OF THE E. COLI ASPARTYL-TRNA SYNTHETASE:YEAST TRNAASP:ASPARTYL-ADENYLATE COMPLEX
Descriptor:ASPARTYL TRANSFER RNA, ASPARTYL-TRNA SYNTHETASE, SULFATE ION, ...
Authors:Moulinier, L., Eiler, S., Eriani, G., Gangloff, J., Thierry, J.C., Gabriel, K., McClain, W.H., Moras, D.
Deposit date:2001-05-07
Release date:2001-09-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of an AspRS-tRNA(Asp) complex reveals a tRNA-dependent control mechanism.
EMBO J., 20, 2001