3CGE
 
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1TF1
 | | Crystal Structure of the E. coli Glyoxylate Regulatory Protein Ligand Binding Domain | | Descriptor: | Negative regulator of allantoin and glyoxylate utilization operons | | Authors: | Walker, J.R, Skarina, T, Kudrytska, M, Joachimiak, A, Arrowsmith, C, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-05-26 | | Release date: | 2004-08-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and biochemical study of effector molecule recognition by the E.coli glyoxylate and allantoin utilization regulatory protein AllR.
J.Mol.Biol., 358, 2006
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1VJ3
 | | STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE. | | Descriptor: | ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J.R, Queener, S.F, Laughton, C.A, Malcolm, F.G. | | Deposit date: | 2004-01-13 | | Release date: | 2004-01-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate.
Biochemistry, 39, 2000
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1VM1
 | | STRUCTURE OF SHV-1 BETA-LACTAMASE INHIBITED BY TAZOBACTAM | | Descriptor: | ACRYLIC ACID, BETA-LACTAMASE SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... | | Authors: | Kuzin, A.P, Nukaga, M, Nukaga, Y, Hujer, A, Bonomo, R.A, Knox, J.R. | | Deposit date: | 2004-08-27 | | Release date: | 2004-09-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Inhibition of the SHV-1 beta-lactamase by sulfones: crystallographic observation of two reaction intermediates with tazobactam.
Biochemistry, 40, 2001
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1VRN
 | | PHOTOSYNTHETIC REACTION CENTER BLASTOCHLORIS VIRIDIS (ATCC) | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Baxter, R.H.G, Seagle, B.-L, Norris, J.R. | | Deposit date: | 2005-02-23 | | Release date: | 2005-03-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cryogenic structure of the photosynthetic reaction center of Blastochloris viridis in the light and dark.
Acta Crystallogr.,Sect.D, 61, 2005
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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: | (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | | 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: | 2024-02-21 | | 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
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10MH
 | | TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET | | Descriptor: | DNA (5'-D(P*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*AP*GP*5NCP*GP*CP*AP*TP*GP*G)-3'), PROTEIN (CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI), ... | | Authors: | Sheikhnejad, G, Brank, A, Christman, J.K, Goddard, A, Alvarez, E, Ford Junior, H, Marquez, V.E, Marasco, C.J, Sufrin, J.R, O'Gara, M, Cheng, X. | | Deposit date: | 1998-08-10 | | Release date: | 1999-02-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Mechanism of inhibition of DNA (cytosine C5)-methyltransferases by oligodeoxyribonucleotides containing 5,6-dihydro-5-azacytosine.
J.Mol.Biol., 285, 1999
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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, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ... | | 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
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1AH5
 | | REDUCED FORM SELENOMETHIONINE-LABELLED HYDROXYMETHYLBILANE SYNTHASE DETERMINED BY MAD | | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, HYDROXYMETHYLBILANE SYNTHASE | | Authors: | Helliwell, J.R, Nieh, Y.P, Harrop, S.J, Cassetta, A. | | Deposit date: | 1997-04-13 | | Release date: | 1997-10-15 | | Last modified: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Determination of the structure of seleno-methionine-labelled hydroxymethylbilane synthase in its active form by multi-wavelength anomalous dispersion.
Acta Crystallogr.,Sect.D, 55, 1999
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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, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ... | | 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
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1AIU
 | | HUMAN THIOREDOXIN (D60N MUTANT, REDUCED FORM) | | Descriptor: | THIOREDOXIN | | Authors: | Andersen, J.F, Gasdaska, J.R, Sanders, D.A.R, Weichsel, A, Powis, G, Montfort, W.R. | | Deposit date: | 1997-04-25 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human thioredoxin homodimers: regulation by pH, role of aspartate 60, and crystal structure of the aspartate 60 --> asparagine mutant.
Biochemistry, 36, 1997
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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: | (3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | | 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: | 2024-02-21 | | 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
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1AH2
 | | SERINE PROTEASE PB92 FROM BACILLUS ALCALOPHILUS, NMR, 18 STRUCTURES | | Descriptor: | SERINE PROTEASE PB92 | | Authors: | Boelens, R, Schipper, D, Martin, J.R, Karimi-Nejad, Y, Mulder, F, Zwan, J.V.D, Mariani, M. | | Deposit date: | 1997-04-11 | | Release date: | 1998-04-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of serine protease PB92 from Bacillus alcalophilus presents a rigid fold with a flexible substrate-binding site.
Structure, 5, 1997
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1BHF
 | | P56LCK SH2 DOMAIN INHIBITOR COMPLEX | | Descriptor: | INHIBITOR ACE-IPA-GLU-GLU-ILE, T-LYMPHOCYTE-SPECIFIC PROTEIN TYROSINE KINASE P56LCK | | Authors: | Tong, L, Warren, T.C, Lukas, S, Schembri-King, J, Betageri, R, Proudfoot, J.R, Jakes, S. | | Deposit date: | 1998-06-08 | | Release date: | 1998-10-21 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Carboxymethyl-phenylalanine as a replacement for phosphotyrosine in SH2 domain binding.
J.Biol.Chem., 273, 1998
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1BHH
 | | FREE P56LCK SH2 DOMAIN | | Descriptor: | P56 LCK TYROSINE KINASE SH2 DOMAIN, T-LYMPHOCYTE-SPECIFIC PROTEIN TYROSINE KINASE P56LCK | | Authors: | Tong, L, Warren, T.C, Lukas, S, Schembri-King, J, Betageri, R, Proudfoot, J.R, Jakes, S. | | Deposit date: | 1998-06-08 | | Release date: | 1998-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Carboxymethyl-phenylalanine as a replacement for phosphotyrosine in SH2 domain binding.
J.Biol.Chem., 273, 1998
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1BDK
 | | AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN AQUEOUS MICELLAR SOLUTIONS | | Descriptor: | bradykinin antagonist B-9340 | | Authors: | Sejbal, J, Kotovych, G, Cann, J.R, Stewart, J.M, Gera, L. | | Deposit date: | 1995-07-28 | | Release date: | 1995-12-07 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | An NMR, CD, molecular dynamics, and fluorometric study of the conformation of the bradykinin antagonist B-9340 in water and in aqueous micellar solutions.
J.Med.Chem., 39, 1996
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1BKL
 | | SELF-ASSOCIATED APO SRC SH2 DOMAIN | | Descriptor: | PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN | | Authors: | Holland, D.R, Rubin, J.R. | | Deposit date: | 1997-05-02 | | Release date: | 1997-07-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel Pp60Src Sh2 Domain Crystal Structures: A 2.0 Angstrom Co-Crystal Structure of a D-Amino Acid Substituted Phosphopeptide Complex and a 2.1 Angstrom Apo Structure Displaying Self-Association
To be Published
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1C3P
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1BVX
 | | THE 1.8 A STRUCTURE OF GEL GROWN TETRAGONAL HEN EGG WHITE LYSOZYME | | Descriptor: | PROTEIN (LYSOZYME) | | Authors: | Dong, J, Boggon, T.J, Chayen, N.E, Raftery, J, Bi, R.C, Helliwell, J.R. | | Deposit date: | 1998-09-18 | | Release date: | 1998-09-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bound-solvent structures for microgravity-, ground control-, gel- and microbatch-grown hen egg-white lysozyme crystals at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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1C3S
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1BM8
 | | DNA-BINDING DOMAIN OF MBP1 | | Descriptor: | TRANSCRIPTION FACTOR MBP1 | | Authors: | Xu, R.-M, Koch, C, Liu, Y, Horton, J.R, Knapp, D, Nasmyth, K, Cheng, X. | | Deposit date: | 1998-07-29 | | Release date: | 1999-03-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Crystal structure of the DNA-binding domain of Mbp1, a transcription factor important in cell-cycle control of DNA synthesis.
Structure, 5, 1997
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1BZD
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1BZE
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1AVO
 | | PROTEASOME ACTIVATOR REG(ALPHA) | | Descriptor: | 11S REGULATOR | | Authors: | Hill, C.P, Knowlton, J.R. | | Deposit date: | 1997-09-18 | | Release date: | 1997-12-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the proteasome activator REGalpha (PA28alpha).
Nature, 390, 1997
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1C3R
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