4LCH
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![BU of 4lch by Molmil](/molmil-images/mine/4lch) | Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-051 complex | Descriptor: | (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-beta-methyl-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2013-06-21 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.596 Å) | Cite: | Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors. J.Med.Chem., 56, 2013
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4DA6
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![BU of 4da6 by Molmil](/molmil-images/mine/4da6) | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with ganciclovir | Descriptor: | 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Martins, N.H, Giuseppe, P.O, Meza, A.N, Murakami, M.T. | Deposit date: | 2012-01-12 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases. Plos One, 7, 2012
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4DJT
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4DAO
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![BU of 4dao by Molmil](/molmil-images/mine/4dao) | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with adenine | Descriptor: | ADENINE, GLYCEROL, Purine nucleoside phosphorylase deoD-type | Authors: | Giuseppe, P.O, Martins, N.H, Meza, A.N, Murakami, M.T. | Deposit date: | 2012-01-13 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases. Plos One, 7, 2012
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4DK3
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![BU of 4dk3 by Molmil](/molmil-images/mine/4dk3) | Structure of Editosome protein | Descriptor: | RNA-editing complex protein MP81, single domain antibody VHH | Authors: | Park, Y.-J, Hol, W. | Deposit date: | 2012-02-03 | Release date: | 2012-07-04 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | The structure of the C-terminal domain of the largest editosome interaction protein and its role in promoting RNA binding by RNA-editing ligase L2. Nucleic Acids Res., 40, 2012
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4DKA
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![BU of 4dka by Molmil](/molmil-images/mine/4dka) | Structure of Editosome protein | Descriptor: | RNA-editing complex protein MP81, SODIUM ION, single domain antibody VHH | Authors: | Park, Y.-J, Hol, W. | Deposit date: | 2012-02-03 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The structure of the C-terminal domain of the largest editosome interaction protein and its role in promoting RNA binding by RNA-editing ligase L2. Nucleic Acids Res., 40, 2012
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4DN7
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![BU of 4dn7 by Molmil](/molmil-images/mine/4dn7) | CRYSTAL STRUCTURE OF putative ABC transporter, ATP-binding protein from Methanosarcina mazei Go1 | Descriptor: | ABC transporter, ATP-binding protein, PENTAETHYLENE GLYCOL | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-02-08 | Release date: | 2012-02-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | CRYSTAL STRUCTURE OF putative ABC transporter, ATP-binding protein from Methanosarcina mazei Go1 To be Published
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4DOJ
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![BU of 4doj by Molmil](/molmil-images/mine/4doj) | Crystal structure of BetP in outward-facing conformation | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, CHLORIDE ION, CHOLINE ION, ... | Authors: | Perez, C, Ziegler, C. | Deposit date: | 2012-02-09 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Alternating-access mechanism in conformationally asymmetric trimers of the betaine transporter BetP. Nature, 490, 2012
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4M0F
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![BU of 4m0f by Molmil](/molmil-images/mine/4m0f) | Structure of human acetylcholinesterase in complex with territrem B | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | Deposit date: | 2013-08-01 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility. ACS Med Chem Lett, 4, 2013
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4M4O
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![BU of 4m4o by Molmil](/molmil-images/mine/4m4o) | Crystal structure of the aptamer minE-lysozyme complex | Descriptor: | Lysozyme C, MAGNESIUM ION, RNA (59-MER), ... | Authors: | Malashkevich, V.N, Padlan, F.C, Toro, R, Girvin, M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-07 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the aptamer minE-lysozyme complex to be published
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4M21
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![BU of 4m21 by Molmil](/molmil-images/mine/4m21) | Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C | Descriptor: | 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-05 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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4M7W
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![BU of 4m7w by Molmil](/molmil-images/mine/4m7w) | Crystal structure of purine nucleoside phosphorylase from Leptotrichia buccalis C-1013-b, NYSGRC Target 029767. | Descriptor: | PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-12 | Release date: | 2013-08-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of purine nucleoside phosphorylase from Leptotrichia buccalis C-1013-b, NYSGRC Target 029767. To be Published
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4DUQ
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4DPF
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![BU of 4dpf by Molmil](/molmil-images/mine/4dpf) | BACE-1 in complex with a HEA-macrocyclic type inhibitor | Descriptor: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | Deposit date: | 2012-02-13 | Release date: | 2012-07-11 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
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4MCI
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![BU of 4mci by Molmil](/molmil-images/mine/4mci) | Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520. | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Uridine phosphorylase | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-21 | Release date: | 2013-09-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520. To be Published
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4MCV
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![BU of 4mcv by Molmil](/molmil-images/mine/4mcv) | Star 12 bound to analog-sensitive Src kinase | Descriptor: | (7S)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, Proto-oncogene tyrosine-protein kinase Src | Authors: | Lopez, M.S, Shokat, K.M. | Deposit date: | 2013-08-21 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Staurosporine-derived inhibitors broaden the scope of analog-sensitive kinase technology. J.Am.Chem.Soc., 135, 2013
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4MB3
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![BU of 4mb3 by Molmil](/molmil-images/mine/4mb3) | Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella marina | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Chitinase 60, ... | Authors: | Malecki, P.H, Vorgias, C.E, Rypniewski, W. | Deposit date: | 2013-08-19 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution Acta Crystallogr.,Sect.D, 70, 2014
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4D8L
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![BU of 4d8l by Molmil](/molmil-images/mine/4d8l) | Crystal structure of the 2-pyrone-4,6-dicarboxylic acid hydrolase from sphingomonas paucimobilis | Descriptor: | 2-pyrone-4,6-dicarbaxylate hydrolase | Authors: | Malashkevich, V.N, Toro, R, Bonanno, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2012-01-10 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation. Biochemistry, 51, 2012
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4D8V
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![BU of 4d8v by Molmil](/molmil-images/mine/4d8v) | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis at pH 4.2 | Descriptor: | ADENINE, Purine nucleoside phosphorylase deoD-type, SULFATE ION | Authors: | Santos, C.R, Meza, A.N, Martins, N.H, Giuseppe, P.O, Murakami, M.T. | Deposit date: | 2012-01-11 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases. Plos One, 7, 2012
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4D9J
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4LOG
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![BU of 4log by Molmil](/molmil-images/mine/4log) | The crystal structure of the orphan nuclear receptor PNR ligand binding domain fused with MBP | Descriptor: | Maltose ABC transporter periplasmic protein and NR2E3 protein chimeric construct | Authors: | Tan, M.E, Zhou, X.E, Soon, F.-F, Li, X, Li, J, Yong, E.-L, Melcher, K, Xu, H.E. | Deposit date: | 2013-07-12 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Crystal Structure of the Orphan Nuclear Receptor NR2E3/PNR Ligand Binding Domain Reveals a Dimeric Auto-Repressed Conformation. Plos One, 8, 2013
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4LRZ
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![BU of 4lrz by Molmil](/molmil-images/mine/4lrz) | Crystal Structure of the E.coli DhaR(N)-DhaL complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PTS-dependent dihydroxyacetone kinase operon regulatory protein, ... | Authors: | Shi, R, McDonald, L, Cygler, M, Ekiel, I. | Deposit date: | 2013-07-21 | Release date: | 2014-01-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Coiled-Coil Helix Rotation Selects Repressing or Activating State of Transcriptional Regulator DhaR. Structure, 22, 2014
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4D8O
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![BU of 4d8o by Molmil](/molmil-images/mine/4d8o) | |
4LST
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![BU of 4lst by Molmil](/molmil-images/mine/4lst) | Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade C strain ZM176.66 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, HEAVY CHAIN OF ANTIBODY VRC01, ... | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | Deposit date: | 2013-07-23 | Release date: | 2013-08-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies. Immunity, 39, 2013
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4LUD
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![BU of 4lud by Molmil](/molmil-images/mine/4lud) | Crystal Structure of HCK in complex with the fluorescent compound SKF86002 | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-25 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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