1OL2
 
 | | Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 | | Descriptor: | ARG-ARG-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | Deposit date: | 2003-08-05 | | Release date: | 2003-12-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
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3R2P
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2JOD
 | | Pac1-Rshort N-terminal EC domain Pacap(6-38) complex | | Descriptor: | Pituitary adenylate cyclase-activating polypeptide, Pituitary adenylate cyclase-activating polypeptide type I receptor | | Authors: | Olejniczak, E.T, Sun, C, Song, D, Davis-Taber, R.A, Barrett, L.W, Scott, V.E, Richardson, P.L, Pereda-lopez, A, Uchic, M.E, Solomon, L.R, Lake, M.R, Walter, K.A, Hajduk, P.J. | | Deposit date: | 2007-03-07 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Solution structure and mutational analysis of pituitary adenylate cyclase-activating polypeptide binding to the extracellular domain of PAC1-RS.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4MX2
 | | Crystal Structure of adenylosuccinate lyase from Leishmania donovani | | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, GLYCEROL, ... | | Authors: | Wernimont, A.K, Loppnau, P, Dong, A, Krojer, T, Bradley, A, Bushell, S, von Delft, F, Robinson, D, Gilbert, I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-25 | | Release date: | 2014-04-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of adenylosuccinate lyase from Leishmania donovani
To be Published
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4FFX
 | | Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency Associated Mutation | | Descriptor: | Adenylosuccinate lyase | | Authors: | Deaton, M.K, Ray, S.P, Capodagli, G.C, Calkins, L.A.F, Sawle, L, Ghosh, K, Patterson, D, Pegan, S.D. | | Deposit date: | 2012-06-01 | | Release date: | 2012-08-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency-Associated Mutation.
Biochemistry, 51, 2012
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1ZIJ
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1ZII
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2A9H
 | | NMR structural studies of a potassium channel / charybdotoxin complex | | Descriptor: | Voltage-gated potassium channel, charybdotoxin | | Authors: | Yu, L, Sun, C, Song, D, Shen, J, Xu, N, Gunasekera, A, Hajduk, P.J, Olejniczak, E.T. | | Deposit date: | 2005-07-11 | | Release date: | 2006-01-10 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structural studies of a potassium channel-charybdotoxin complex.
Biochemistry, 44, 2005
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2BJI
 | | High Resolution Structure of myo-Inositol Monophosphatase, The Target of Lithium Therapy | | Descriptor: | INOSITOL-1(OR 4)-MONOPHOSPHATASE, MAGNESIUM ION | | Authors: | Gill, R, Mohammed, F, Badyal, R, Coates, L, Erskine, P, Thompson, D, Cooper, J, Gore, M, Wood, S. | | Deposit date: | 2005-02-03 | | Release date: | 2005-02-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | High-resolution structure of myo-inositol monophosphatase, the putative target of lithium therapy.
Acta Crystallogr. D Biol. Crystallogr., 61, 2005
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2C5X
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | | Authors: | Kontopidis, G, Mcinnes, C, Pandalaneni, S.R, Mcnae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2005-11-03 | | Release date: | 2006-03-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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2C5V
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... | | Authors: | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2005-11-02 | | Release date: | 2006-03-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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2C5N
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | | Authors: | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | Deposit date: | 2005-10-30 | | Release date: | 2006-03-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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1P7R
 | | CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P450CAM WITH (S)-(-)-NICOTINE | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P. | | Deposit date: | 2003-05-05 | | Release date: | 2003-10-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger).
Biochemistry, 42, 2003
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1P2Y
 | | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM IN COMPLEX WITH (S)-(-)-NICOTINE | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P. | | Deposit date: | 2003-04-16 | | Release date: | 2003-10-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger).
Biochemistry, 42, 2003
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1KQH
 | | NMR Solution Structure of the cis Pro30 Isomer of ACTX-Hi:OB4219 | | Descriptor: | ACTX-Hi:OB4219 | | Authors: | Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J. | | Deposit date: | 2002-01-05 | | Release date: | 2002-02-06 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin
from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within
its four disulfide bonds
Biochemistry, 41, 2002
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1KQI
 | | NMR Solution Structure of the trans Pro30 Isomer of ACTX-Hi:OB4219 | | Descriptor: | ACTX-Hi:OB4219 | | Authors: | Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J. | | Deposit date: | 2002-01-06 | | Release date: | 2002-02-06 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin
from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within
its four disulfide bonds
Biochemistry, 41, 2002
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7KVB
 | | Chimeric flavivirus between Binjari virus and Murray Valley encephalitis virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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4I5I
 | | Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog | | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G. | | Deposit date: | 2012-11-28 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.
J.Med.Chem., 56, 2013
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1R27
 | | Crystal Structure of NarGH complex | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Jormakka, M, Richardson, D, Byrne, B, Iwata, S. | | Deposit date: | 2003-09-26 | | Release date: | 2004-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Architecture of NarGH reveals a structural classification of Mo-bisMGD enzymes
Structure, 12, 2004
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1C2U
 | | SOLUTION STRUCTURE OF [ABU3,35]SHK12-28,17-32 | | Descriptor: | SYNTHETIC PEPTIDE ANALOGUE OF SHK TOXIN | | Authors: | Pennington, M.W, Lanigan, M.D, Kalman, K, Manhir, V.M, Rauer, H, McVaugh, C.T, Behm, D, Donaldson, D, Chandy, K.G, Kem, W.R, Norton, R.S. | | Deposit date: | 1999-07-27 | | Release date: | 1999-11-10 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | Role of disulfide bonds in the structure and potassium channel blocking activity of ShK toxin.
Biochemistry, 38, 1999
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1GU0
 | | CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE | | Authors: | Roszak, A.W, Krell, T, Robinson, D, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | | Deposit date: | 2002-01-22 | | Release date: | 2002-04-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor
Structure, 10, 2002
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1H4J
 | | Methylobacterium extorquens methanol dehydrogenase D303E mutant | | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 1, Methanol dehydrogenase [cytochrome c] subunit 2, ... | | Authors: | Mohammed, F, Gill, R, Thompson, D, Cooper, J.B, Wood, S.P, Afolabi, P.R, Anthony, C. | | Deposit date: | 2001-05-11 | | Release date: | 2001-08-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Site-Directed Mutagenesis and X-Ray Crystallography of the Pqq-Containing Quinoprotein Methanol Dehydrogenase and its Electron Acceptor, Cytochrome C(L)(,)
Biochemistry, 40, 2001
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4FLC
 | | Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency Associated Mutation | | Descriptor: | Adenylosuccinate lyase | | Authors: | Deaton, M.K, Ray, S.P, Capodagli, G.C, Calkins, L.A.F, Sawle, L, Ghosh, K, Patterson, D, Pegan, S.D. | | Deposit date: | 2012-06-14 | | Release date: | 2012-08-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency-Associated Mutation.
Biochemistry, 51, 2012
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1E51
 | | Crystal structure of native human erythrocyte 5-aminolaevulinic acid dehydratase | | Descriptor: | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, SULFATE ION, ... | | Authors: | Mills-Davies, N.L, Thompson, D, Cooper, J.B, Shoolingin-Jordan, P.M. | | Deposit date: | 2000-07-13 | | Release date: | 2001-07-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | The Crystal Structure of Human Ala-Dehydratase
To be Published
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7JVS
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