6CZJ
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![BU of 6czj by Molmil](/molmil-images/mine/6czj) | |
6CEZ
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![BU of 6cez by Molmil](/molmil-images/mine/6cez) | Crystal Structure of Rabbit Anti-HIV-1 gp120 V2 Fab 16C2 in complex with V2 peptide ConB | Descriptor: | HIV-1 gp120 V2 Peptide Con B, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, Light chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2 | Authors: | Kong, X, Pan, R. | Deposit date: | 2018-02-13 | Release date: | 2018-09-12 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Select gp120 V2 domain specific antibodies derived from HIV and SIV infection and vaccination inhibit gp120 binding to alpha 4 beta 7. PLoS Pathog., 14, 2018
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6CZH
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![BU of 6czh by Molmil](/molmil-images/mine/6czh) | Structure of a redesigned beta barrel, mFAP0, bound to DFHBI | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0 | Authors: | Doyle, L.A, Stoddard, B.L. | Deposit date: | 2018-04-09 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
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6CZI
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![BU of 6czi by Molmil](/molmil-images/mine/6czi) | Structure of a redesigned beta barrel, mFAP1, bound to DFHBI | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1 | Authors: | Doyle, L.A, Stoddard, B.L. | Deposit date: | 2018-04-09 | Release date: | 2018-09-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
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4ZK5
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![BU of 4zk5 by Molmil](/molmil-images/mine/4zk5) | MAP4K4 in complex with inhibitor GNE-495 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2015-04-29 | Release date: | 2015-09-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. Acs Med.Chem.Lett., 6, 2015
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4Q94
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![BU of 4q94 by Molmil](/molmil-images/mine/4q94) | human RPRD1B CID in complex with a RPB1-CTD derived Ser2 phosphorylated peptide | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2014-04-29 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation. Nat.Struct.Mol.Biol., 21, 2014
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4Q96
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![BU of 4q96 by Molmil](/molmil-images/mine/4q96) | CID of human RPRD1B in complex with an unmodified CTD peptide | Descriptor: | RPB1-CTD, Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, ... | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2014-04-29 | Release date: | 2014-06-04 | Last modified: | 2014-08-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation. Nat.Struct.Mol.Biol., 21, 2014
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5BK5
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![BU of 5bk5 by Molmil](/molmil-images/mine/5bk5) | Crystal structure of the anti-circumsporozoite protein 663 germline antibody | Descriptor: | 663 germline antibody, heavy chain, light chain, ... | Authors: | Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | Deposit date: | 2017-09-12 | Release date: | 2017-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies. Immunity, 47, 2017
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5BK0
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![BU of 5bk0 by Molmil](/molmil-images/mine/5bk0) | Crystal structure of 663 Fab bound to circumsporozoite protein NANP 5-mer | Descriptor: | 663 Antibody, heavy chain, light chain, ... | Authors: | Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | Deposit date: | 2017-09-12 | Release date: | 2017-12-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies. Immunity, 47, 2017
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5BK3
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![BU of 5bk3 by Molmil](/molmil-images/mine/5bk3) | Crystal structure of the neutralizing anti-circumsporozoite protein 580 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 580 Antibody, heavy chain, ... | Authors: | Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P. | Deposit date: | 2017-09-12 | Release date: | 2017-12-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies. Immunity, 47, 2017
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4OBQ
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![BU of 4obq by Molmil](/molmil-images/mine/4obq) | MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-01-07 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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3WLB
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![BU of 3wlb by Molmil](/molmil-images/mine/3wlb) | HLA-A24 in complex with HIV-1 Nef126-10(8T10F) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | Deposit date: | 2013-11-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection Retrovirology, 11, 2014
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3WL9
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![BU of 3wl9 by Molmil](/molmil-images/mine/3wl9) | HLA-A24 in complex with HIV-1 Nef126-10(8I10F) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | Deposit date: | 2013-11-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection Retrovirology, 11, 2014
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155C
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![BU of 155c by Molmil](/molmil-images/mine/155c) | |
3JSI
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![BU of 3jsi by Molmil](/molmil-images/mine/3jsi) | Human phosphodiesterase 9 in complex with inhibitor | Descriptor: | 6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2009-09-10 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
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3K3B
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![BU of 3k3b by Molmil](/molmil-images/mine/3k3b) | Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline | Descriptor: | 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Bussiere, D.E, Bellamacina, C, Le, V. | Deposit date: | 2009-10-02 | Release date: | 2009-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5. Bioorg.Med.Chem.Lett., 20, 2010
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3JSW
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![BU of 3jsw by Molmil](/molmil-images/mine/3jsw) | Human PDE9 in complex with selective inhibitor | Descriptor: | 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2009-09-11 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy. J.Med.Chem., 52, 2009
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3W0W
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![BU of 3w0w by Molmil](/molmil-images/mine/3w0w) | The complex between T36-5 TCR and HLA-A24 bound to HIV-1 Nef134-10(2F) peptide in space group P212121 | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-11-05 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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3VXS
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![BU of 3vxs by Molmil](/molmil-images/mine/3vxs) | The complex between H27-14 TCR and HLA-A24 bound to HIV-1 Nef134-10(6L) peptide | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, H27-14 TCR alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-09-20 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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3VXP
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![BU of 3vxp by Molmil](/molmil-images/mine/3vxp) | HLA-A24 in complex with HIV-1 Nef134-10(6L) | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-09-20 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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3VXR
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![BU of 3vxr by Molmil](/molmil-images/mine/3vxr) | The complex between H27-14 TCR and HLA-A24 bound to HIV-1 Nef134-10(wt) peptide | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, H27-14 TCR alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-09-20 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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3VXT
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![BU of 3vxt by Molmil](/molmil-images/mine/3vxt) | T36-5 TCR specific for HLA-A24-Nef134-10 | Descriptor: | T36-5 TCR alpha chain, T36-5 TCR beta chain | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-09-20 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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3VXN
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![BU of 3vxn by Molmil](/molmil-images/mine/3vxn) | HLA-A24 in complex with HIV-1 Nef134-10(wt) | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-09-20 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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2RU1
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![BU of 2ru1 by Molmil](/molmil-images/mine/2ru1) | Solution structure of esf3 | Descriptor: | Uncharacterized protein | Authors: | Umetsu, Y, Mori, M, Ohki, S. | Deposit date: | 2013-11-06 | Release date: | 2014-04-23 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Central cell-derived peptides regulate early embryo patterning in flowering plants Science, 344, 2014
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3VXO
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![BU of 3vxo by Molmil](/molmil-images/mine/3vxo) | HLA-A24 in complex with HIV-1 Nef134-10(2F) | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-09-20 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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