4R5M
 
 | | Crystal structure of Vc-Aspartate beta-semialdehyde-dehydrogenase with NADP and 4-Nitro-2-Phosphono-Benzoic acid | | Descriptor: | 4-nitro-2-phosphonobenzoic acid, Aspartate-semialdehyde dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E. | | Deposit date: | 2014-08-21 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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3RUQ
 | | Crystal structure of Cpn-WT in complex with ADP from Methanococcus maripaludis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION | | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N.R, Kumar, R, McAndrew, R.P, Knee, K.M, Frydman, J, Adams, P.D. | | Deposit date: | 2011-05-05 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.798 Å) | | Cite: | Mechanism of nucleotide sensing in group II chaperonins.
Embo J., 31, 2012
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5IPX
 | | Structure of ORF49 from KSHV | | Descriptor: | ORF49 protein, SULFATE ION | | Authors: | Hew, K, Nordlund, P. | | Deposit date: | 2016-03-10 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Open Reading Frame 49 Protein Encoded by Kaposi's Sarcoma-Associated Herpesvirus.
J. Virol., 91, 2017
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4LBY
 | | Identifying ligand binding hot spots in proteins using brominated fragments | | Descriptor: | AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ... | | Authors: | Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P. | | Deposit date: | 2013-06-21 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.692 Å) | | Cite: | Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
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7JUV
 | | Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ... | | Authors: | Khan, Z.M, Dar, A.C, Scopton, A.P. | | Deposit date: | 2020-08-20 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
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1PGG
 | | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), TRANS MODEL | | Descriptor: | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Loll, P.J, Picot, D, Garavito, R.M. | | Deposit date: | 1995-12-02 | | Release date: | 1997-01-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site.
Biochemistry, 35, 1996
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2Y46
 | | Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group | | Descriptor: | BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ... | | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | | Deposit date: | 2011-01-05 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
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4LB4
 | | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | Deposit date: | 2013-06-20 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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2Y05
 | | Crystal structure of human leukotriene B4 12-hydroxydehydrogenase in complex with NADP and raloxifene | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Yue, W.W, Shafqat, N, Krojer, T, Pike, A.C.W, von Delft, F, Sethi, R, Savitsky, P, Johansson, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2010-11-30 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene
To be Published
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2N2A
 | | Spatial structure of HER2/ErbB2 dimeric transmembrane domain in the presence of cytoplasmic juxtamembrane domains | | Descriptor: | Receptor tyrosine-protein kinase erbB-2 | | Authors: | Bragin, P.E, Mineev, K.S, Bocharov, E, Bocharova, O, Arseniev, A. | | Deposit date: | 2015-05-05 | | Release date: | 2016-02-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | HER2 Transmembrane Domain Dimerization Coupled with Self-Association of Membrane-Embedded Cytoplasmic Juxtamembrane Regions.
J.Mol.Biol., 428, 2016
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3RUS
 | | Crystal structure of Cpn-rls in complex with ADP from Methanococcus maripaludis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chaperonin, MAGNESIUM ION, ... | | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N.R, Kumar, R, McAndrew, R.P, Knee, K.M, King, J.A, Frydman, J, Adams, P.D. | | Deposit date: | 2011-05-05 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.338 Å) | | Cite: | Mechanism of nucleotide sensing in group II chaperonins.
Embo J., 31, 2012
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7K4Q
 | | Crystal structure of Kemp Eliminase HG3 in complex with the transition state analog 6-nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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7K4V
 | | Crystal structure of Kemp Eliminase HG3.17 | | Descriptor: | Endo-1,4-beta-xylanase, TETRAETHYLENE GLYCOL | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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4IHM
 | | G215S, A251G, T257A, D260G, T262D mutant of carboxypeptidase T from Thermoactinomyces vulgaris | | Descriptor: | CALCIUM ION, Carboxypeptidase T, GLYCEROL, ... | | Authors: | Timofeev, V.I, Kuznetsov, S.A, Akparov, V.K, Kuranova, I.P. | | Deposit date: | 2012-12-19 | | Release date: | 2013-12-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | G215S, A251G, T257A, D260G, T262D mutant of carboxypeptidase T from Thermoactinomyces vulgaris
To be published
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4B9H
 | | Cladosporium fulvum LysM effector Ecp6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer: I3C heavy atom derivative | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Saleem-Batcha, R, Sanchez-Vallet, A, Hansen, G, Thomma, B.P.H.J, Mesters, J.R. | | Deposit date: | 2012-09-04 | | Release date: | 2013-07-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization
Elife, 2, 2013
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1W03
 | | Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Glycine-Fe Complex | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | | Deposit date: | 2004-06-01 | | Release date: | 2005-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine
Biochemistry, 44, 2005
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1W05
 | | Isopenicillin N Synthase Aminoadipoyl-Cysteinyl-Alanine-Fe Complex | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Long, A.J, Clifton, I.J, Rutledge, P.J. | | Deposit date: | 2004-06-01 | | Release date: | 2005-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Truncated Substrate Analogues Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-Glycine and Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D- Alanine
Biochemistry, 44, 2005
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4R8H
 | | The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein | | Descriptor: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, GLYCEROL, cAMP-activated global transcriptional regulator CRP | | Authors: | Townsend, P.D, Pohl, E, McLeish, T.C.B, Rodgers, T.L, Glover, L.C, Korhonen, H.J, Wilson, M.R, Hodgson, D.R.W, Cann, M.J. | | Deposit date: | 2014-09-02 | | Release date: | 2015-07-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The Role of Protein-Ligand Contacts in Allosteric Regulation of the Escherichia coli Catabolite Activator Protein.
J.Biol.Chem., 290, 2015
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4LMX
 | | Light harvesting complex PE555 from the cryptophyte Hemiselmis andersenii CCMP644 | | Descriptor: | 15,16-DIHYDROBILIVERDIN, PHYCOERYTHROBILIN, cryptophyte phycoerythrin (alpha-1 chain), ... | | Authors: | Harrop, S.J, Wilk, K.E, Curmi, P.M.G. | | Deposit date: | 2013-07-11 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Single-residue insertion switches the quaternary structure and exciton states of cryptophyte light-harvesting proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4IN7
 | | (M)L214N mutant of the Rhodobacter sphaeroides Reaction Center | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Saer, R.G, Hardjasa, A, Murphy, M.E.P, Beatty, J.T. | | Deposit date: | 2013-01-04 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Role of Rhodobacter sphaeroides photosynthetic reaction center residue M214 in the composition, absorbance properties, and conformations of H(A) and B(A) cofactors.
Biochemistry, 52, 2013
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1VYM
 | | NATIVE HUMAN PCNA | | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN | | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M. | | Deposit date: | 2004-05-03 | | Release date: | 2005-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design
Proc.Natl.Acad.Sci.USA, 102, 2005
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1HRQ
 | | THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE REDUCED HIGH-POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM VINOSUM THROUGH NMR | | Descriptor: | HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER | | Authors: | Banci, L, Bertini, I, Dikiy, A, Kastrau, D.H.W, Luchinat, C, Sompornpisut, P. | | Deposit date: | 1995-01-17 | | Release date: | 1995-06-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The three-dimensional solution structure of the reduced high-potential iron-sulfur protein from Chromatium vinosum through NMR.
Biochemistry, 34, 1995
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1HRR
 | | THE THREE DIMENSIONAL STRUCTURE OF THE REDUCED HIGH POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM VINOSUM THROUGH NMR | | Descriptor: | IRON/SULFUR CLUSTER, REDUCED HIGH POTENTIAL IRON SULFUR PROTEIN | | Authors: | Banci, L, Bertini, I, Dikiy, A, Kastrau, D.H.W, Luchinat, C, Sompornpisut, P. | | Deposit date: | 1995-01-17 | | Release date: | 1995-07-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The three-dimensional solution structure of the reduced high-potential iron-sulfur protein from Chromatium vinosum through NMR.
Biochemistry, 34, 1995
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4IOD
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4ICD
 | | REGULATION OF ISOCITRATE DEHYDROGENASE BY PHOSPHORYLATION INVOLVES NO LONG-RANGE CONFORMATIONAL CHANGE IN THE FREE ENZYME | | Descriptor: | PHOSPHORYLATED ISOCITRATE DEHYDROGENASE | | Authors: | Hurley, J.H, Dean, A.M, Thorsness, P.E, Koshlandjunior, D.E, Stroud, R.M. | | Deposit date: | 1989-12-28 | | Release date: | 1991-01-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Regulation of isocitrate dehydrogenase by phosphorylation involves no long-range conformational change in the free enzyme.
J.Biol.Chem., 265, 1990
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