5LAY
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![BU of 5lay by Molmil](/molmil-images/mine/5lay) | Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g | Descriptor: | (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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6WI5
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6WQY
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![BU of 6wqy by Molmil](/molmil-images/mine/6wqy) | GH5-4 broad specificity endoglucanase from Bacteroides salanitronis | Descriptor: | CHLORIDE ION, Cellulase, MAGNESIUM ION | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-04-29 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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8HTR
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![BU of 8htr by Molmil](/molmil-images/mine/8htr) | Crystal structure of Bcl2 in complex with S-9c | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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6QRZ
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![BU of 6qrz by Molmil](/molmil-images/mine/6qrz) | Crystal structure of R2-like ligand-binding oxidase from Sulfolobus acidocaldarius solved by 3D micro-crystal electron diffraction | Descriptor: | FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase | Authors: | Xu, H, Lebrette, H, Clabbers, M.T.B, Zhao, J, Griese, J.J, Zou, X, Hogbom, M. | Deposit date: | 2019-02-20 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | Cite: | Solving a new R2lox protein structure by microcrystal electron diffraction. Sci Adv, 5, 2019
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8HTS
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![BU of 8hts by Molmil](/molmil-images/mine/8hts) | Crystal structure of Bcl2 in complex with S-10r | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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4KJO
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3LWR
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![BU of 3lwr by Molmil](/molmil-images/mine/3lwr) | Structure of H/ACA RNP bound to a substrate RNA containing 4SU | Descriptor: | 5'-R(*GP*AP*GP*CP*GP*(4SU)P*GP*CP*GP*GP*UP*UP*U)-3', 50S ribosomal protein L7Ae, H/ACA RNA, ... | Authors: | Zhou, J, Liang, B, Lv, C, Yang, W, Li, H. | Deposit date: | 2010-02-24 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Functional and Structural Impact of Target Uridine Substitutions on the H/ACA Ribonucleoprotein Particle Pseudouridine Synthase . Biochemistry, 49, 2010
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3LYY
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![BU of 3lyy by Molmil](/molmil-images/mine/3lyy) | Crystal structure of the MucBP domain of the adhesion protein PEPE_0118 from Pediococcus pentosaceus. Northeast Structural Genomics Consortium target id PtR41A | Descriptor: | Adhesion exoprotein | Authors: | Seetharaman, J, Lew, S, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-02-28 | Release date: | 2010-04-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the MucBP domain of the adhesion protein PEPE_0118 from Pediococcus pentosaceus. Northeast Structural Genomics Consortium target id PtR41A To be Published
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3LZ9
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![BU of 3lz9 by Molmil](/molmil-images/mine/3lz9) | The Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-trans,6-trans)-2-fluorofarnesyl diphosphate | Descriptor: | (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION | Authors: | Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E. | Deposit date: | 2010-03-01 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates. Acs Chem.Biol., 5, 2010
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1EMR
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![BU of 1emr by Molmil](/molmil-images/mine/1emr) | CRYSTAL STRUCTURE OF HUMAN LEUKEMIA INHIBITORY FACTOR (LIF) | Descriptor: | LEUKEMIA INHIBITORY FACTOR | Authors: | Robinson, R.C, Heath, J.K, Hawkins, N, Samal, B, Jones, E.Y, Betzel, C. | Deposit date: | 2000-03-17 | Release date: | 2001-03-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Species Variation in Receptor Binding Site Revealed by the Medium Resolution X-ray Structure of Human Leukemia Inhibitory Factor to be published
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3LWQ
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![BU of 3lwq by Molmil](/molmil-images/mine/3lwq) | Structure of H/ACA RNP bound to a substrate RNA containing 3MU | Descriptor: | 5'-R(*GP*AP*GP*CP*GP*(UR3)P*GP*CP*GP*GP*UP*UP*U)-3, 50S ribosomal protein L7Ae, H/ACA RNA, ... | Authors: | Zhou, J, Liang, B, Lv, C, Yang, W, Li, H. | Deposit date: | 2010-02-24 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.678 Å) | Cite: | Functional and Structural Impact of Target Uridine Substitutions on the H/ACA Ribonucleoprotein Particle Pseudouridine Synthase . Biochemistry, 49, 2010
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1R4Z
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![BU of 1r4z by Molmil](/molmil-images/mine/1r4z) | Bacillus subtilis lipase A with covalently bound Rc-IPG-phosphonate-inhibitor | Descriptor: | Lipase, [(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE | Authors: | Droege, M.J, Van Pouderoyen, G, Vrenken, T.E, Rueggeberg, C.J, Reetz, M.T, Dijkstra, B.W, Quax, W.J. | Deposit date: | 2003-10-09 | Release date: | 2004-10-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Directed Evolution of Bacillus subtilis Lipase A by Use of Enantiomeric Phosphonate Inhibitors: Crystal Structures and Phage Display Selection Chembiochem, 7, 2005
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4JZ6
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![BU of 4jz6 by Molmil](/molmil-images/mine/4jz6) | Crystal structure of a salicylaldehyde dehydrogenase from Pseudomonas putida G7 complexed with salicylaldehyde | Descriptor: | 1,2-ETHANEDIOL, SALICYLALDEHYDE, SULFATE ION, ... | Authors: | Coitinho, J.B, Nagem, R.A.P. | Deposit date: | 2013-04-02 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.417 Å) | Cite: | Structural and Kinetic Properties of the Aldehyde Dehydrogenase NahF, a Broad Substrate Specificity Enzyme for Aldehyde Oxidation. Biochemistry, 55, 2016
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1EE7
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![BU of 1ee7 by Molmil](/molmil-images/mine/1ee7) | NMR STRUCTURE OF THE PEPTAIBOL CHRYSOSPERMIN C BOUND TO DPC MICELLES | Descriptor: | CHRYSOSPERMIN C | Authors: | Anders, R, Ohlenschlager, O, Soskic, V, Wenschuh, H, Heise, B, Brown, L.R. | Deposit date: | 2000-01-31 | Release date: | 2000-05-10 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | The NMR Solution Structure of the Ion Channel Peptaibol Chrysospermin C Bound to Dodecylphosphocholine Micelles. Eur.J.Biochem., 267, 2000
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4AUC
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![BU of 4auc by Molmil](/molmil-images/mine/4auc) | Bovine chymosin in complex with Pepstatin A | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHYMOSIN, ... | Authors: | Langholm Jensen, J, Navarro Poulsen, J.C, Jacobsen, J, van den Brink, J.M, Qvist, K.B, Larsen, S. | Deposit date: | 2012-05-16 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure of Bovine Chymosin in Complex with Pepstatin A To be Published
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4WBO
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4UUR
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![BU of 4uur by Molmil](/molmil-images/mine/4uur) | Cold-adapted truncated hemoglobin from the Antarctic marine bacterium Pseudoalteromonas haloplanktis TAC125 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE HEMOGLOBIN-LIKE OXYGEN-BINDING PROTEIN | Authors: | Pesce, A, Giordano, D, Riccio, A, Nardini, M, Caldelli, E, Howes, B, Bustamante, J.P, Boechi, L, Estrin, D, di Prisco, G, Smulevich, G, Verde, C, Bolognesi, M. | Deposit date: | 2014-07-31 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Flexibility of the Heme Cavity in the Cold-Adapted Truncated Hemoglobin from the Antarctic Marine Bacterium Pseudoalteromonas Haloplanktis Tac125. FEBS J., 282, 2015
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6QTJ
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![BU of 6qtj by Molmil](/molmil-images/mine/6qtj) | Crystal structure of human CDK8/CYCC in complex with BI 919811 | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide | Authors: | Boettcher, J. | Deposit date: | 2019-02-25 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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6X5I
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4UZE
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2AWI
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![BU of 2awi by Molmil](/molmil-images/mine/2awi) | Structure of PrgX Y153C mutant | Descriptor: | PrgX | Authors: | Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.k, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A. | Deposit date: | 2005-09-01 | Release date: | 2005-12-06 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of peptide sex pheromone receptor PrgX and PrgX/pheromone complexes and regulation of conjugation in Enterococcus faecalis. Proc.Natl.Acad.Sci.Usa, 102, 2005
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4BA3
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![BU of 4ba3 by Molmil](/molmil-images/mine/4ba3) | mImp_alphadIBB_A89NLS | Descriptor: | A89NLS, IMPORTIN SUBUNIT ALPHA-2 | Authors: | Chang, C.-W, Counago, R.L.M, Williams, S.J, Boden, M, Kobe, B. | Deposit date: | 2012-09-11 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Rice Importin-Alpha and Structural Basis of its Interaction with Plant-Specific Nuclear Localization Signals. Plant Cell, 24, 2012
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2AO2
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![BU of 2ao2 by Molmil](/molmil-images/mine/2ao2) | The 2.07 Angstrom crystal structure of Mycobacterium tuberculosis chorismate mutase reveals unexpected gene duplication and suggests a role in host-pathogen interactions | Descriptor: | Chorismate mutase, SULFATE ION, TRYPTOPHAN | Authors: | Qamra, R, Prakash, P, Aruna, B, Hasnain, S.E, Mande, S.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-08-12 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The 2.15 A crystal structure of Mycobacterium tuberculosis chorismate mutase reveals an unexpected gene duplication and suggests a role in host-pathogen interactions. Biochemistry, 45, 2006
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2B4U
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![BU of 2b4u by Molmil](/molmil-images/mine/2b4u) | Structure of the C252S mutant of Selenomonas ruminantium PTP-like phytase | Descriptor: | CHLORIDE ION, MALONATE ION, SULFATE ION, ... | Authors: | Gruninger, R.J, Selinger, L.B, Mosimann, S.C. | Deposit date: | 2005-09-26 | Release date: | 2006-11-07 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and structural analysis of a bacterial protein tyrosine phosphatase-like myo-inositol polyphosphatase. Protein Sci., 16, 2007
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