6VKN
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![BU of 6vkn by Molmil](/molmil-images/mine/6vkn) | BG505 SOSIP.v5.2.N241.N289 in complex with rhesus macaque Fab RM19R | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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: | Cottrell, C.A, Ward, A.B. | Deposit date: | 2020-01-21 | Release date: | 2020-08-12 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations. NPJ Vaccines, 5, 2020
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6OQ6
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6OQ7
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![BU of 6oq7 by Molmil](/molmil-images/mine/6oq7) | Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3 | Descriptor: | E3, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Chen, P, Lam, K, Jin, R. | Deposit date: | 2019-04-25 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of the full-length Clostridium difficile toxin B. Nat.Struct.Mol.Biol., 26, 2019
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8OKV
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![BU of 8okv by Molmil](/molmil-images/mine/8okv) | lipoprotein BT2095 from Bacteroides thetaiotamicron bound to cyanocobalamin CnCbl | Descriptor: | CYANOCOBALAMIN, Putative surface layer protein | Authors: | Javier Abellon-Ruiz, J, van den Berg, B, Jana, K, Kleinekathofer, U, Silale, A, Frey, A.M, Basle, A, Trost, M. | Deposit date: | 2023-03-29 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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5LHH
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![BU of 5lhh by Molmil](/molmil-images/mine/5lhh) | Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | Descriptor: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Cecatiello, V, Pasqualato, S. | Deposit date: | 2016-07-11 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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1E6P
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![BU of 1e6p by Molmil](/molmil-images/mine/1e6p) | Chitinase B from Serratia marcescens inactive mutant E144Q | Descriptor: | CHITINASE B, GLYCEROL, SULFATE ION | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-22 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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6P5W
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![BU of 6p5w by Molmil](/molmil-images/mine/6p5w) | Structure of DCN1 bound to 3-methyl-N-((4S,5S)-3-methyl-6-oxo-1-phenyl-4-(p-tolyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide | Descriptor: | 3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide, Lysozyme,DCN1-like protein 1 chimera | Authors: | Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A. | Deposit date: | 2019-05-31 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation. J.Med.Chem., 62, 2019
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1FMF
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![BU of 1fmf by Molmil](/molmil-images/mine/1fmf) | REFINED SOLUTION STRUCTURE OF THE (13C,15N-LABELED) B12-BINDING SUBUNIT OF GLUTAMATE MUTASE FROM CLOSTRIDIUM TETANOMORPHUM | Descriptor: | METHYLASPARTATE MUTASE S CHAIN | Authors: | Hoffmann, B, Konrat, R, Tollinger, M, Huhta, M, Marsh, E.N.G, Kraeutler, B. | Deposit date: | 2000-08-17 | Release date: | 2002-02-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A protein pre-organized to trap the nucleotide moiety of coenzyme B(12): refined solution structure of the B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum. Chembiochem, 2, 2001
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7S7F
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![BU of 7s7f by Molmil](/molmil-images/mine/7s7f) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-15 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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7S7E
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![BU of 7s7e by Molmil](/molmil-images/mine/7s7e) | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-09-15 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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7RZJ
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![BU of 7rzj by Molmil](/molmil-images/mine/7rzj) | CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-08-27 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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6P5V
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![BU of 6p5v by Molmil](/molmil-images/mine/6p5v) | Structure of DCN1 bound to N-((4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-methylbenzamide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lysozyme,DCN1-like protein 1 fusion, N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide | Authors: | Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A. | Deposit date: | 2019-05-31 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation. J.Med.Chem., 62, 2019
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6UJ9
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![BU of 6uj9 by Molmil](/molmil-images/mine/6uj9) | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Miller, M.S, Thirawatananond, P, Aytenfisu, T.Y, Wright, K, Gabelli, S.B. | Deposit date: | 2019-10-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens. Nat Commun, 12, 2021
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6UJ7
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![BU of 6uj7 by Molmil](/molmil-images/mine/6uj7) | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Miller, M.S, Thirawatananond, P, Gabelli, S.B. | Deposit date: | 2019-10-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens. Nat Commun, 12, 2021
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1FQ2
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![BU of 1fq2 by Molmil](/molmil-images/mine/1fq2) | CRYSTAL STRUCTURE ANALYSIS OF THE POTASSIUM FORM OF B-DNA DODECAMER CGCGAATTCGCG | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE | Authors: | Williams, L.D, Sines, C.C, McFail-Isom, L, Howerton, S.B, VanDerveer, D. | Deposit date: | 2000-09-01 | Release date: | 2000-11-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Cations Mediate B-DNA Conformational Heterogeneity J.Am.Chem.Soc., 122, 2000
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6V3J
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![BU of 6v3j by Molmil](/molmil-images/mine/6v3j) | KIR3DL1 in complex with HLA-B*57:03 presenting the peptide LSSPVTKSF | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ... | Authors: | Maclachlan, B, Rossjohn, J, Vivian, J.P. | Deposit date: | 2019-11-25 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function. Proc.Natl.Acad.Sci.USA, 117, 2020
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6V2P
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![BU of 6v2p by Molmil](/molmil-images/mine/6v2p) | HLA-B*57:03 presenting the peptide ASLNLPAVSW | Descriptor: | ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Maclachlan, B, Rossjohn, J, Vivian, J.P. | Deposit date: | 2019-11-25 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function. Proc.Natl.Acad.Sci.USA, 117, 2020
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8R5K
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7A1Z
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![BU of 7a1z by Molmil](/molmil-images/mine/7a1z) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | Descriptor: | 1,2-ETHANEDIOL, 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ... | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-14 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.024 Å) | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
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5K9O
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![BU of 5k9o by Molmil](/molmil-images/mine/5k9o) | Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009 | Descriptor: | 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.387 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
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6VL5
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![BU of 6vl5 by Molmil](/molmil-images/mine/6vl5) | |
5LHI
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![BU of 5lhi by Molmil](/molmil-images/mine/5lhi) | Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Cecatiello, V, Pasqualato, S. | Deposit date: | 2016-07-12 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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8P97
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![BU of 8p97 by Molmil](/molmil-images/mine/8p97) | |
8P98
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![BU of 8p98 by Molmil](/molmil-images/mine/8p98) | BtuB3G3 bound to cyanocobalamin with ordered EL8 | Descriptor: | CYANOCOBALAMIN, Putative surface layer protein, Vitamin B12 transporter BtuB | Authors: | Silale, A, Abellon-Ruiz, J, van den Berg, B. | Deposit date: | 2023-06-05 | Release date: | 2023-08-16 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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7RZD
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![BU of 7rzd by Molmil](/molmil-images/mine/7rzd) | CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | Authors: | Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | Deposit date: | 2021-08-27 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
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