5IJ1
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![BU of 5ij1 by Molmil](/molmil-images/mine/5ij1) | SrpA adhesin in complex with sialyllactose | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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7MFR
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![BU of 7mfr by Molmil](/molmil-images/mine/7mfr) | Crystal Structure of a Fab fragment bound to peptide GGM | Descriptor: | Antibody fragment - Heavy Chain of fab, Antibody fragment - Light Chain of fab, GLY-GLY-MET, ... | Authors: | Sudhamsu, J. | Deposit date: | 2021-04-10 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.848 Å) | Cite: | Antibody toolkit reveals N-terminally ubiquitinated substrates of UBE2W. Nat Commun, 12, 2021
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7MGL
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![BU of 7mgl by Molmil](/molmil-images/mine/7mgl) | Structure of human TRPML1 with ML-SI3 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Mucolipin-1, N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide | Authors: | Schmiege, P, Li, X. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Atomic insights into ML-SI3 mediated human TRPML1 inhibition. Structure, 29, 2021
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5I50
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![BU of 5i50 by Molmil](/molmil-images/mine/5i50) | Structure of OmoMYC bound to double-stranded DNA | Descriptor: | DNA (5'-D(P*CP*AP*CP*CP*CP*GP*GP*TP*CP*AP*CP*GP*TP*GP*GP*CP*CP*TP*AP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*TP*AP*GP*GP*CP*CP*AP*CP*GP*TP*GP*AP*CP*CP*GP*GP*GP*TP*G)-3'), Myc proto-oncogene protein | Authors: | Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C. | Deposit date: | 2016-02-13 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors. Oncogene, 36, 2017
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6SM8
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![BU of 6sm8 by Molmil](/molmil-images/mine/6sm8) | Human jak1 kinase domain in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, Tyrosine-protein kinase JAK1 | Authors: | Read, J.A, Steuber, H. | Deposit date: | 2019-08-21 | Release date: | 2020-04-29 | Last modified: | 2020-05-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor. J.Med.Chem., 63, 2020
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3MOR
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![BU of 3mor by Molmil](/molmil-images/mine/3mor) | Crystal structure of Cathepsin B from Trypanosoma Brucei | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ... | Authors: | Cupelli, K, Stehle, T. | Deposit date: | 2010-04-23 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | In vivo protein crystallization opens new routes in structural biology. Nat.Methods, 9, 2012
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5HIC
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![BU of 5hic by Molmil](/molmil-images/mine/5hic) | EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor | Descriptor: | Epidermal growth factor receptor, N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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3LF6
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![BU of 3lf6 by Molmil](/molmil-images/mine/3lf6) | Crystal structure of HIV epitope-scaffold 4E10_1XIZA_S0_001_N | Descriptor: | PHOSPHATE ION, Putative phosphotransferase system | Authors: | Holmes, M.A. | Deposit date: | 2010-01-15 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope. Structure, 18, 2010
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5IIY
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![BU of 5iiy by Molmil](/molmil-images/mine/5iiy) | SrpA adhesin in complex with the Neu5Ac-galactoside disaccharide | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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6TM9
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![BU of 6tm9 by Molmil](/molmil-images/mine/6tm9) | |
3LG7
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![BU of 3lg7 by Molmil](/molmil-images/mine/3lg7) | Crystal structure of HIV epitope-scaffold 4E10_S0_1EZ3A_002_C | Descriptor: | 4E10_S0_1EZ3A_002_C (T246), SULFATE ION | Authors: | Holmes, M.A. | Deposit date: | 2010-01-19 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope. Structure, 18, 2010
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5HP8
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![BU of 5hp8 by Molmil](/molmil-images/mine/5hp8) | Crystal structures of RidA in complex with pyruvate | Descriptor: | PYRUVIC ACID, Reactive Intermediate Deaminase A, chloroplastic | Authors: | Xie, W, Liu, X. | Deposit date: | 2016-01-20 | Release date: | 2016-10-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of RidA, an important enzyme for the prevention of toxic side products Sci Rep, 6, 2016
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3MTR
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![BU of 3mtr by Molmil](/molmil-images/mine/3mtr) | Crystal structure of the Ig5-FN1 tandem of human NCAM | Descriptor: | Neural cell adhesion molecule 1, SULFATE ION | Authors: | Lavie, A, Foley, D.A. | Deposit date: | 2010-04-30 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and mutagenesis of neural cell adhesion molecule domains: evidence for flexibility in the placement of polysialic acid attachment sites J.Biol.Chem., 285, 2010
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5I41
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![BU of 5i41 by Molmil](/molmil-images/mine/5i41) | Structure of the apo RacA DNA binding domain | Descriptor: | Chromosome-anchoring protein RacA | Authors: | schumacher, M.A. | Deposit date: | 2016-02-11 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular insights into DNA binding and anchoring by the Bacillus subtilis sporulation kinetochore-like RacA protein. Nucleic Acids Res., 44, 2016
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6UVB
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![BU of 6uvb by Molmil](/molmil-images/mine/6uvb) | |
7NB4
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![BU of 7nb4 by Molmil](/molmil-images/mine/7nb4) | Structure of Mcl-1 complex with compound 1 | Descriptor: | (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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7NB7
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![BU of 7nb7 by Molmil](/molmil-images/mine/7nb7) | Structure of Mcl-1 complex with compound 6b | Descriptor: | (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Surgenor, A.E, Kotschy, A. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6, 2021
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7NIE
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![BU of 7nie by Molmil](/molmil-images/mine/7nie) | |
6UV8
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![BU of 6uv8 by Molmil](/molmil-images/mine/6uv8) | |
5FFY
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![BU of 5ffy by Molmil](/molmil-images/mine/5ffy) | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand | Descriptor: | 4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide, Peregrin | Authors: | Tallant, C, Savitsky, P, Nunez-Alonso, G, Kopec, J, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2015-12-19 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with a benzimidazole ligand To Be Published
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5IJ2
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![BU of 5ij2 by Molmil](/molmil-images/mine/5ij2) | SrpA adhesin in complex with sialyllactosamine | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Iverson, T.M. | Deposit date: | 2016-03-01 | Release date: | 2017-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand. Biochemistry, 2016
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7LAM
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![BU of 7lam by Molmil](/molmil-images/mine/7lam) | Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N',N''-triacetylchitotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ... | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2021-01-06 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni . Biochemistry, 60, 2021
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3M24
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![BU of 3m24 by Molmil](/molmil-images/mine/3m24) | Crystal structure of TagBFP fluorescent protein | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | Authors: | Malashkevich, V.N, Subach, O.M, Almo, S.C, Verkhusha, V.V. | Deposit date: | 2010-03-06 | Release date: | 2010-05-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of acylimine-containing blue and red chromophores in mTagBFP and TagRFP fluorescent proteins. Chem.Biol., 17, 2010
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7LAQ
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![BU of 7laq by Molmil](/molmil-images/mine/7laq) | |
7N7P
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![BU of 7n7p by Molmil](/molmil-images/mine/7n7p) | Cryo-EM structure of human TMEM120A | Descriptor: | COENZYME A, Ion channel TACAN | Authors: | Xue, J, Han, Y, Jiang, Y. | Deposit date: | 2021-06-10 | Release date: | 2021-09-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | TMEM120A is a coenzyme A-binding membrane protein with structural similarities to ELOVL fatty acid elongase. Elife, 10, 2021
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