6DDH
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![BU of 6ddh by Molmil](/molmil-images/mine/6ddh) | Crystal structure of the double mutant (D52N/R367Q) of NT5C2-537X in the active state, Northeast Structural Genomics Target | Descriptor: | Cytosolic purine 5'-nucleotidase, INOSINIC ACID | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6D45
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![BU of 6d45 by Molmil](/molmil-images/mine/6d45) | L89S Mutant of FeBMb Sperm Whale Myoglobin | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bhagi-Damodaran, A, Mirts, E.N, Sandoval, B, Lu, Y. | Deposit date: | 2018-04-17 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.779 Å) | Cite: | Heme redox potentials hold the key to reactivity differences between nitric oxide reductase and heme-copper oxidase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DE0
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![BU of 6de0 by Molmil](/molmil-images/mine/6de0) | Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the active state | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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5CZC
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![BU of 5czc by Molmil](/molmil-images/mine/5czc) | The structure of VinK | Descriptor: | CALCIUM ION, GLYCEROL, Malonyl-CoA-[acyl-carrier-protein] transacylase | Authors: | Miyanaga, A, Iwasawa, S, Shinohara, Y, Kudo, F, Eguchi, T. | Deposit date: | 2015-07-31 | Release date: | 2016-02-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based analysis of the molecular interactions between acyltransferase and acyl carrier protein in vicenistatin biosynthesis. Proc.Natl.Acad.Sci.USA, 113, 2016
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6D72
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![BU of 6d72 by Molmil](/molmil-images/mine/6d72) | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-23 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions. To Be Published
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5CV6
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![BU of 5cv6 by Molmil](/molmil-images/mine/5cv6) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66H/I92E at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Theodoru, A, Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | Deposit date: | 2015-07-25 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66H/I92E at cryogenic temperature To be Published
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6DDL
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![BU of 6ddl by Molmil](/molmil-images/mine/6ddl) | Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the basal state | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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6DE2
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![BU of 6de2 by Molmil](/molmil-images/mine/6de2) | Crystal structure of the double mutant (D52N/L375F) of the full-length NT5C2 in the active state | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, ... | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
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5D9C
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![BU of 5d9c by Molmil](/molmil-images/mine/5d9c) | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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5CYN
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![BU of 5cyn by Molmil](/molmil-images/mine/5cyn) | JC Virus large T-antigen origin binding domain F258L mutant | Descriptor: | 1,2-ETHANEDIOL, Large T antigen | Authors: | Meinke, G, Bohm, A, Bullock, P.A. | Deposit date: | 2015-07-30 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Based Analyses of the JC Virus T-Antigen F258L Mutant Provides Evidence for DNA Dependent Conformational Changes in the C-Termini of Polyomavirus Origin Binding Domains. Plos Pathog., 12, 2016
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5DBY
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![BU of 5dby by Molmil](/molmil-images/mine/5dby) | Crystal Structure of Equine Serum Albumin in Complex with Diclofenac and Naproxen Obtained in Displacement Experiment | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ... | Authors: | Sekula, B, Bujacz, A, Bujacz, G. | Deposit date: | 2015-08-22 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin. J.Med.Chem., 59, 2016
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6DIZ
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![BU of 6diz by Molmil](/molmil-images/mine/6diz) | EV-A71 strain 11316 complexed with tryptophan dendrimer MADAL_0385 | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Sun, L, Lee, H, Thibaut, H.J, Rivero-Buceta, E, Martinez-Gualda, B, Delang, L, Leyssen, P, Gago, F, San-Felix, A, Hafenstein, S, Mirabelli, C, Neyts, J. | Deposit date: | 2018-05-24 | Release date: | 2019-04-24 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid. Plos Pathog., 15, 2019
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5DDG
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![BU of 5ddg by Molmil](/molmil-images/mine/5ddg) | The structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with target double strand DNA | Descriptor: | DNA (27-MER), FORMIC ACID, MALONIC ACID, ... | Authors: | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2015-12-16 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria. Nucleic Acids Res., 43, 2015
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5DFD
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![BU of 5dfd by Molmil](/molmil-images/mine/5dfd) | Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound | Descriptor: | Bromodomain-containing protein 2, GLYCEROL, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate | Authors: | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | Deposit date: | 2015-08-26 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition. J.Med.Chem., 59, 2016
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5DFX
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6DGI
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![BU of 6dgi by Molmil](/molmil-images/mine/6dgi) | |
6DTM
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![BU of 6dtm by Molmil](/molmil-images/mine/6dtm) | Crystal Structure of Helicobacter pylori TlpA Chemoreceptor Ligand Binding Domain | Descriptor: | CHLORIDE ION, Methyl-accepting chemotaxis protein TlpA | Authors: | Remington, S.J, Guillemin, K, Sweeney, E, Perkins, A. | Deposit date: | 2018-06-17 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the ligand-binding domain of Helicobacter pylori chemoreceptor TlpA. Protein Sci., 27, 2018
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6D4W
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![BU of 6d4w by Molmil](/molmil-images/mine/6d4w) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637) | Descriptor: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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5CTV
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![BU of 5ctv by Molmil](/molmil-images/mine/5ctv) | Catalytic domain of LytA, the major autolysin of Streptococcus pneumoniae, (C60A, H133A, C136A mutant) complexed with peptidoglycan fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Autolysin, fragment of peptidoglycan | Authors: | Achour, A, Sandalova, T, Mellroth, P. | Deposit date: | 2015-07-24 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | The crystal structure of the major pneumococcal autolysin LytA in complex with a large peptidoglycan fragment reveals the pivotal role of glycans for lytic activity. Mol.Microbiol., 101, 2016
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5D51
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![BU of 5d51 by Molmil](/molmil-images/mine/5d51) | Krypton derivatization of an O2-tolerant membrane-bound [NiFe] hydrogenase reveals a hydrophobic gas tunnel network | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | Authors: | Kalms, J, Schmidt, A, Frielingsdorf, S, van der Linden, P, von Stetten, D, Lenz, O, Carpentier, P, Scheerer, P. | Deposit date: | 2015-08-10 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Krypton Derivatization of an O2 -Tolerant Membrane-Bound [NiFe] Hydrogenase Reveals a Hydrophobic Tunnel Network for Gas Transport. Angew.Chem.Int.Ed.Engl., 55, 2016
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6DVU
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6D4T
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![BU of 6d4t by Molmil](/molmil-images/mine/6d4t) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) | Descriptor: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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5DBE
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![BU of 5dbe by Molmil](/molmil-images/mine/5dbe) | Crystal structure of O-acetylserine sulfhydrylase from Haemophilus influenzae in complex with pre-reactive O-acetyl serine, alpha-aminoacrylate reaction intermediate and peptide inhibitor at the resolution of 2.25A | Descriptor: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, C-terminal peptide from Serine acetyltransferase, Cysteine synthase, ... | Authors: | Singh, A.K, Kaushik, A, Ekka, M.K, Kumaran, S. | Deposit date: | 2015-08-21 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure Of O-Acetylserine Sulfhydrylase From Haemophilus Influenzae In Complex With Pre-Reactive O-Acetyl Serine, Alpha-Aminoacrylate Reactionintermediate And Peptide Inhibitor At The Resolution Of 2.25A To Be Published
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6D60
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![BU of 6d60 by Molmil](/molmil-images/mine/6d60) | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | Authors: | Yang, Y, Liu, F, Liu, A. | Deposit date: | 2018-04-19 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities. J. Biol. Chem., 293, 2018
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6DFU
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![BU of 6dfu by Molmil](/molmil-images/mine/6dfu) | Tryptophan--tRNA ligase from Haemophilus influenzae. | Descriptor: | TRYPTOPHAN, Tryptophan--tRNA ligase | Authors: | Osipiuk, J, Maltseva, N, Mulligan, R, Grimshaw, S, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-05-15 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Tryptophan--tRNA ligase from Haemophilus influenzae. to be published
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