1ZRU
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![BU of 1zru by Molmil](/molmil-images/mine/1zru) | structure of the lactophage p2 receptor binding protein in complex with glycerol | Descriptor: | GLYCEROL, lactophage p2 receptor binding protein | Authors: | Spinelli, S, Tremblay, D.M, Tegoni, M, Blangy, S, Huyghe, C, Desmyter, A, Labrie, S, de Haard, H, Moineau, S, Cambillau, C, Structural Proteomics in Europe (SPINE) | Deposit date: | 2005-05-22 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Receptor-binding protein of Lactococcus lactis phages: identification and characterization of the saccharide receptor-binding site. J.Bacteriol., 188, 2006
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4LVT
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![BU of 4lvt by Molmil](/molmil-images/mine/4lvt) | Bcl_2-Navitoclax (ABT-263) Complex | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2 | Authors: | Park, C.H. | Deposit date: | 2013-07-26 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. NAT.MED. (N.Y.), 19, 2013
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5YY2
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![BU of 5yy2 by Molmil](/molmil-images/mine/5yy2) | Crystal structure of AsqI with Zn | Descriptor: | Uncharacterized protein AsqI, ZINC ION | Authors: | Hara, K, Hashimoto, H, Kishimoto, S, Watanabe, K. | Deposit date: | 2017-12-07 | Release date: | 2018-08-01 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Enzymatic one-step ring contraction for quinolone biosynthesis. Nat Commun, 9, 2018
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4QQ6
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![BU of 4qq6 by Molmil](/molmil-images/mine/4qq6) | Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-26 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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4QQD
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![BU of 4qqd by Molmil](/molmil-images/mine/4qqd) | Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-08-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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5WCZ
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![BU of 5wcz by Molmil](/molmil-images/mine/5wcz) | |
5WFQ
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![BU of 5wfq by Molmil](/molmil-images/mine/5wfq) | Ligand-bound Ras:SOS:Ras complex | Descriptor: | 7-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | Authors: | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | Deposit date: | 2017-07-12 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
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4RX0
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![BU of 4rx0 by Molmil](/molmil-images/mine/4rx0) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2014-12-08 | Release date: | 2015-07-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria. Sci Transl Med, 7, 2015
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5WJG
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![BU of 5wjg by Molmil](/molmil-images/mine/5wjg) | Using sound pulses to solve the crystal harvesting bottleneck | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, L(+)-TARTARIC ACID, ... | Authors: | Soares, A.S, Brennan, H.M, McCarthy, L, Leroy, L. | Deposit date: | 2017-07-22 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Using sound pulses to solve the crystal-harvesting bottleneck. Acta Crystallogr D Struct Biol, 74, 2018
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5JRS
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5JCY
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![BU of 5jcy by Molmil](/molmil-images/mine/5jcy) | Spir2-GTBM bound to MyoVa-GTD | Descriptor: | Protein spire homolog 2, Unconventional myosin-Va | Authors: | Pylypenko, O, Malherbes, G, Welz, T, Kerkhoff, E, Houdusse, A. | Deposit date: | 2016-04-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes. Elife, 5, 2016
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5WFO
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![BU of 5wfo by Molmil](/molmil-images/mine/5wfo) | Ligand-bound Ras:SOS:Ras complex | Descriptor: | 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | Authors: | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | Deposit date: | 2017-07-12 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
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4NA2
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![BU of 4na2 by Molmil](/molmil-images/mine/4na2) | |
4NA1
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5JMX
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![BU of 5jmx by Molmil](/molmil-images/mine/5jmx) | Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 | Descriptor: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | Deposit date: | 2016-04-29 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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3AX4
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![BU of 3ax4 by Molmil](/molmil-images/mine/3ax4) | Three-dimensional structure of lectin from Dioclea violacea and comparative vasorelaxant effects with Dioclea rostrata | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Bezerra, M.J.B, Bezerra, G.A, Martins, J.L, Nascimento, K.S, Nagano, C.S, Gruber, K, Assereuy, A.M, Delatorre, P, Rocha, B.A.M, Cavada, B.S. | Deposit date: | 2011-03-29 | Release date: | 2012-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.613 Å) | Cite: | Crystal structure of Dioclea violacea lectin and a comparative study of vasorelaxant properties with Dioclea rostrata lectin Int.J.Biochem.Cell Biol., 45, 2013
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5WMA
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![BU of 5wma by Molmil](/molmil-images/mine/5wma) | N-terminal bromodomain of BRD4 in complex with PLX5981 | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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4NA3
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1JPO
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![BU of 1jpo by Molmil](/molmil-images/mine/1jpo) | LOW TEMPERATURE ORTHORHOMBIC LYSOZYME | Descriptor: | LYSOZYME | Authors: | Bradbrook, G.M, Helliwell, J.R, Habash, J. | Deposit date: | 1997-07-03 | Release date: | 1997-11-12 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Time-Resolved Biological and Perturbation Chemical Crystallography: Laue and Monochromatic Developments Time-Resolved Electron and X-Ray Diffraction; 13-14 July 1995, San Diego, California (in: Proc.Spie-Int.Soc.Opt.Eng., V.2521), 1995
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3L02
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![BU of 3l02 by Molmil](/molmil-images/mine/3l02) | Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline | Descriptor: | N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | Deposit date: | 2009-12-09 | Release date: | 2010-03-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase. Protein Sci., 16, 2007
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1LY4
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![BU of 1ly4 by Molmil](/molmil-images/mine/1ly4) | Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase | Descriptor: | 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A. | Deposit date: | 2002-06-06 | Release date: | 2002-08-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase. Acta Crystallogr.,Sect.D, 58, 2002
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1SNB
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![BU of 1snb by Molmil](/molmil-images/mine/1snb) | STRUCTURE OF SCORPION NEUROTOXIN BMK M8 | Descriptor: | NEUROTOXIN BMK M8 | Authors: | Wang, D.C, Zeng, Z.H, Li, H.M. | Deposit date: | 1997-03-12 | Release date: | 1997-05-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an acidic neurotoxin from scorpion Buthus martensii Karsch at 1.85 A resolution. J.Mol.Biol., 261, 1996
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4RZQ
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![BU of 4rzq by Molmil](/molmil-images/mine/4rzq) | Structural Analysis of Substrate, Reaction Intermediate and Product Binding in Haemophilus influenzae Biotin Carboxylase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, methyl (3aS,4S,6aR)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-1-carboxylate | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R, Waldrop, G.L. | Deposit date: | 2014-12-23 | Release date: | 2015-06-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
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4KGC
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![BU of 4kgc by Molmil](/molmil-images/mine/4kgc) | Nucleosome Core Particle Containing (ETA6-P-CYMENE)-(1, 2-ETHYLENEDIAMINE)-RUTHENIUM | Descriptor: | (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium, DNA (145-mer), Histone H2A, ... | Authors: | Adhireksan, Z, Davey, C.A. | Deposit date: | 2013-04-29 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Ligand substitutions between ruthenium-cymene compounds can control protein versus DNA targeting and anticancer activity Nat Commun, 5, 2014
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1IGI
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![BU of 1igi by Molmil](/molmil-images/mine/1igi) | |