3KPS
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![BU of 3kps by Molmil](/molmil-images/mine/3kps) | Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLQAFTY a self peptide from the ABCD3 protein | Descriptor: | Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ... | Authors: | Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J. | Deposit date: | 2009-11-16 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | T cell allorecognition via molecular mimicry. Immunity, 31, 2009
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1E51
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![BU of 1e51 by Molmil](/molmil-images/mine/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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2C5O
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![BU of 2c5o by Molmil](/molmil-images/mine/2c5o) | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | Descriptor: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | 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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2C5V
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![BU of 2c5v by Molmil](/molmil-images/mine/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
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![BU of 2c5n by Molmil](/molmil-images/mine/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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2C5Y
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![BU of 2c5y by Molmil](/molmil-images/mine/2c5y) | DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN | Descriptor: | CELL DIVISION PROTEIN KINASE 2, 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol., 13, 2006
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2C5X
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![BU of 2c5x by Molmil](/molmil-images/mine/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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2BJI
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![BU of 2bji by Molmil](/molmil-images/mine/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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1H4J
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![BU of 1h4j by Molmil](/molmil-images/mine/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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3R2P
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![BU of 3r2p by Molmil](/molmil-images/mine/3r2p) | |
4BZ1
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![BU of 4bz1 by Molmil](/molmil-images/mine/4bz1) | Structure of dengue virus EDIII in complex with Fab 3e31 | Descriptor: | CHLORIDE ION, ENVELOPE PROTEIN, FAB 3E31 HEAVY CHAIN, ... | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | Deposit date: | 2013-07-23 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 3E31 To be Published
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1ZII
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![BU of 1zii by Molmil](/molmil-images/mine/1zii) | |
1ZIJ
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![BU of 1zij by Molmil](/molmil-images/mine/1zij) | |
4MX2
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![BU of 4mx2 by Molmil](/molmil-images/mine/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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4BZ2
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![BU of 4bz2 by Molmil](/molmil-images/mine/4bz2) | Structure of dengue virus EDIII in complex with Fab 2D73 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ENVELOPE PROTEIN, ... | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | Deposit date: | 2013-07-23 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 2D73 To be Published
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4OQ6
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![BU of 4oq6 by Molmil](/molmil-images/mine/4oq6) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | Descriptor: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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2A9H
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![BU of 2a9h by Molmil](/molmil-images/mine/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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4OQ5
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![BU of 4oq5 by Molmil](/molmil-images/mine/4oq5) | Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid | Descriptor: | 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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2JOD
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![BU of 2jod by Molmil](/molmil-images/mine/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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1KQH
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![BU of 1kqh by Molmil](/molmil-images/mine/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
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![BU of 1kqi by Molmil](/molmil-images/mine/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: | 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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1P2Y
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![BU of 1p2y by Molmil](/molmil-images/mine/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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1P7R
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![BU of 1p7r by Molmil](/molmil-images/mine/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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1R27
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![BU of 1r27 by Molmil](/molmil-images/mine/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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4FFX
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![BU of 4ffx by Molmil](/molmil-images/mine/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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