1RGY
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![BU of 1rgy by Molmil](/molmil-images/mine/1rgy) | Citrobacter freundii GN346 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID | Authors: | Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R. | Deposit date: | 2003-11-13 | Release date: | 2004-04-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes. J.Biol.Chem., 279, 2004
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5K6B
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![BU of 5k6b by Molmil](/molmil-images/mine/5k6b) | Crystal structure of prefusion-stabilized RSV F single-chain 9 DS-Cav1 variant. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, SULFATE ION | Authors: | Joyce, M.G, Zhang, B, Rundlet, E.J, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-24 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.981 Å) | Cite: | Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV. Nat.Struct.Mol.Biol., 23, 2016
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5JXA
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![BU of 5jxa by Molmil](/molmil-images/mine/5jxa) | Crystal structure of ligand-free VRC03 antigen-binding fragment. | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, PHOSPHATE ION, ... | Authors: | Zhou, T, Moquin, S, Joyce, M.G, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-12 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies. Structure, 24, 2016
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6N3F
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![BU of 6n3f by Molmil](/molmil-images/mine/6n3f) | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ... | Authors: | Leach, J.R, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2018-11-15 | Release date: | 2019-01-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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3SCR
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![BU of 3scr by Molmil](/molmil-images/mine/3scr) | Crystal Structure of Rice BGlu1 E386S Mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLYCEROL, ... | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | Deposit date: | 2011-06-08 | Release date: | 2012-06-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases to be published
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5K6F
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![BU of 5k6f by Molmil](/molmil-images/mine/5k6f) | Crystal structure of prefusion-stabilized RSV F single-chain 9-19 DS-Cav1 variant. | Descriptor: | Fusion glycoprotein F0 | Authors: | Joyce, M.G, Zhang, B, Lai, Y.T, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-24 | Release date: | 2016-08-10 | Last modified: | 2016-09-21 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV. Nat.Struct.Mol.Biol., 23, 2016
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1U11
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![BU of 1u11 by Molmil](/molmil-images/mine/1u11) | PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase) from the acidophile Acetobacter aceti | Descriptor: | CITRIC ACID, PurE (N5-carboxyaminoimidazole Ribonucleotide Mutase) | Authors: | Settembre, E.C, Chittuluru, J.R, Mill, C.P, Kappock, T.J, Ealick, S.E. | Deposit date: | 2004-07-14 | Release date: | 2004-09-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Acidophilic adaptations in the structure of Acetobacter aceti N5-carboxyaminoimidazole ribonucleotide mutase (PurE). Acta Crystallogr.,Sect.D, 60, 2004
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3RC0
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![BU of 3rc0 by Molmil](/molmil-images/mine/3rc0) | Human SETD6 in complex with RelA Lys310 peptide | Descriptor: | 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ... | Authors: | Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X. | Deposit date: | 2011-03-30 | Release date: | 2011-05-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling. Nucleic Acids Res., 39, 2011
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5IKN
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![BU of 5ikn by Molmil](/molmil-images/mine/5ikn) | |
3RI0
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![BU of 3ri0 by Molmil](/molmil-images/mine/3ri0) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | BB_2cx5_001, GLYCEROL, SULFATE ION | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-12 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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5I4U
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![BU of 5i4u by Molmil](/molmil-images/mine/5i4u) | The crystal structure of PI3Kdelta with compound 34 | Descriptor: | 2,4-diamino-6-{[(1S)-1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Somoza, J.R, Villasenor, A.G. | Deposit date: | 2016-02-12 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.372 Å) | Cite: | The Design and Synthesis of Potent, Selective and Metabolically Stable PI3K[delta] Inhibitors To be published
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1U2Z
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![BU of 1u2z by Molmil](/molmil-images/mine/1u2z) | Crystal structure of histone K79 methyltransferase Dot1p from yeast | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Sawada, K, Yang, Z, Horton, J.R, Collins, R.E, Zhang, X, Cheng, X. | Deposit date: | 2004-07-20 | Release date: | 2004-09-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the conserved core of the yeast Dot1p, a nucleosomal histone H3 lysine 79 methyltransferase J.Biol.Chem., 279, 2004
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3ROO
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![BU of 3roo by Molmil](/molmil-images/mine/3roo) | Murine class I major histocompatibility complex H-2Kb in complex with immunodominant LCMV-derived gp34-41 peptide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Madhurantakam, C, Duru, A.D, Leong, C, Sandalova, T, Webb, J.R, Achour, A. | Deposit date: | 2011-04-26 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Nitro-tyrosination of the immunodominant LCMV epitope gp34-41 alters both its capacity to stabilize H-2Kb and the molecular surface of the MHC complex, affecting TCR recognition PLoS ONE, 2012
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5IDD
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![BU of 5idd by Molmil](/molmil-images/mine/5idd) | Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding to histidine in a protein Struct. Dyn. 1, 034701 (2014) regarding the refinement of 4mwk, 4mwm, 4mwn and 4oxe and the method we have adopted. | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Tanley, S.W.M, Helliwell, J.R. | Deposit date: | 2016-02-24 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn., 3, 2016
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3SMT
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![BU of 3smt by Molmil](/molmil-images/mine/3smt) | Crystal structure of human SET domain-containing protein3 | Descriptor: | ACETATE ION, ARSENIC, Histone-lysine N-methyltransferase setd3, ... | Authors: | Dong, A, Zeng, H, Walker, J.R, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-20 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of human SET domain-containing protein3 To be Published
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3SOD
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![BU of 3sod by Molmil](/molmil-images/mine/3sod) | CHANGES IN CRYSTALLOGRAPHIC STRUCTURE AND THERMOSTABILITY OF A CU,ZN SUPEROXIDE DISMUTASE MUTANT RESULTING FROM THE REMOVAL OF BURIED CYSTEINE | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Mcree, D.E, Redford, S.M, Getzoff, E.D, Lepock, J.R, Hallewell, R.A, Tainer, J.A. | Deposit date: | 1990-06-26 | Release date: | 1993-04-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Changes in crystallographic structure and thermostability of a Cu,Zn superoxide dismutase mutant resulting from the removal of a buried cysteine. J.Biol.Chem., 265, 1990
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1T2F
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![BU of 1t2f by Molmil](/molmil-images/mine/1t2f) | Human B lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid | Descriptor: | 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | Deposit date: | 2004-04-21 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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1T64
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![BU of 1t64 by Molmil](/molmil-images/mine/1t64) | Crystal Structure of human HDAC8 complexed with Trichostatin A | Descriptor: | CALCIUM ION, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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5K29
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![BU of 5k29 by Molmil](/molmil-images/mine/5k29) | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) | Descriptor: | UNKNOWN ATOM OR ION, uncharacterized protein BDF5 | Authors: | Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2016-05-18 | Release date: | 2016-07-13 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) To Be Published
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1TDL
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![BU of 1tdl by Molmil](/molmil-images/mine/1tdl) | Structure of Ser130Gly SHV-1 beta-lactamase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Sun, T, Bethel, C.R, Bonomo, R.A, Knox, J.R. | Deposit date: | 2004-05-23 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitor-resistant class A beta-lactamases: consequences of the Ser130-to-Gly mutation seen in Apo and tazobactam structures of the SHV-1 variant Biochemistry, 43, 2004
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6O1G
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![BU of 6o1g by Molmil](/molmil-images/mine/6o1g) | Full length human plasma kallikrein with inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, Plasma kallikrein | Authors: | Partridge, J.R, Choy, R.M. | Deposit date: | 2019-02-19 | Release date: | 2019-03-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
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5KAL
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![BU of 5kal by Molmil](/molmil-images/mine/5kal) | Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UTP and UpU | Descriptor: | MAGNESIUM ION, RNA (5'-R(*UP*U)-3'), RNA uridylyltransferase 4, ... | Authors: | Stagno, J.R, Luecke, H, Afasizhev, R. | Deposit date: | 2016-06-01 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting. Nucleic Acids Res., 44, 2016
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3PVI
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![BU of 3pvi by Molmil](/molmil-images/mine/3pvi) | |
1S3W
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![BU of 1s3w by Molmil](/molmil-images/mine/1s3w) | Structure Determination of Tetrahydroquinazoline Antifoaltes in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | Descriptor: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | Deposit date: | 2004-01-14 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry. Acta Crystallogr.,Sect.D, 60, 2004
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1S98
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![BU of 1s98 by Molmil](/molmil-images/mine/1s98) | E.coli IscA crystal structure to 2.3 A | Descriptor: | Protein yfhF | Authors: | Cupp-Vickery, J.R, Silberg, J.J, Ta, D.T, Vickery, L.E. | Deposit date: | 2004-02-03 | Release date: | 2004-06-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of IscA, an iron-sulfur cluster assembly protein from Escherichia coli. J.Mol.Biol., 338, 2004
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