4R69
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![BU of 4r69 by Molmil](/molmil-images/mine/4r69) | Lactate Dehydrogenase in complex with inhibitor compound 13 | Descriptor: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2014-08-22 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
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5GZR
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![BU of 5gzr by Molmil](/molmil-images/mine/5gzr) | Zika virus E protein complexed with a neutralizing antibody Z23-Fab | Descriptor: | Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ... | Authors: | Gao, G.G, Shi, Y, Peng, R, Liu, S. | Deposit date: | 2016-10-01 | Release date: | 2016-11-30 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (9.4 Å) | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus Sci Transl Med, 8, 2016
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6NCL
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6CIL
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![BU of 6cil by Molmil](/molmil-images/mine/6cil) | PRE-REACTION COMPLEX, RAG1(E962Q)/2-INTACT/INTACT 12/23RSS COMPLEX IN MN2+ | Descriptor: | High mobility group protein B1, Intact 12RSS substrate forward strand, Intact 12RSS substrate reverse strand, ... | Authors: | Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W. | Deposit date: | 2018-02-24 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.15 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination. Mol. Cell, 70, 2018
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4RE1
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![BU of 4re1 by Molmil](/molmil-images/mine/4re1) | Crystal structure of human TEAD1 and disulfide-engineered YAP | Descriptor: | CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog | Authors: | Xu, Z, Zhou, Z. | Deposit date: | 2014-09-21 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides. Faseb J., 29, 2015
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8E2U
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![BU of 8e2u by Molmil](/molmil-images/mine/8e2u) | HMPV F monomer bound to RSV-199 Fab | Descriptor: | Fusion glycoprotein F0, RSV-199 heavy chain, RSV-199 light chain | Authors: | Wen, X, Jardetzky, T.S. | Deposit date: | 2022-08-16 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Potent cross-neutralization of respiratory syncytial virus and human metapneumovirus through a structurally conserved antibody recognition mode. Cell Host Microbe, 31, 2023
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8EAY
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![BU of 8eay by Molmil](/molmil-images/mine/8eay) | HMPV F complex with 4I3 Fab | Descriptor: | 4I3 heavy chain protein, 4I3 light chain protein, Fusion glycoprotein F0 | Authors: | Wen, X, Jardetzky, T.S. | Deposit date: | 2022-08-30 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Potent cross-neutralization of respiratory syncytial virus and human metapneumovirus through a structurally conserved antibody recognition mode. Cell Host Microbe, 31, 2023
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8EBP
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![BU of 8ebp by Molmil](/molmil-images/mine/8ebp) | HMPV F dimer bound to RSV-199 Fab | Descriptor: | Fusion glycoprotein F0, RSV-199 heavy chain protein, RSV-199 light chain protein | Authors: | Wen, X, Jardetzky, T.S. | Deposit date: | 2022-08-31 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Potent cross-neutralization of respiratory syncytial virus and human metapneumovirus through a structurally conserved antibody recognition mode. Cell Host Microbe, 31, 2023
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8DZW
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![BU of 8dzw by Molmil](/molmil-images/mine/8dzw) | RSV F trimer bound to RSV-199 Fab | Descriptor: | RSV fusion protein, RSV-199 Heavy chain protein, RSV-199 Light chain protein | Authors: | Wen, X, Jardetzky, T.S. | Deposit date: | 2022-08-08 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Potent cross-neutralization of respiratory syncytial virus and human metapneumovirus through a structurally conserved antibody recognition mode. Cell Host Microbe, 31, 2023
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2IIV
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![BU of 2iiv by Molmil](/molmil-images/mine/2iiv) | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | Descriptor: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Weber, A.E, Biftu, T. | Deposit date: | 2006-09-28 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem.Lett., 17, 2007
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8HQ6
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![BU of 8hq6 by Molmil](/molmil-images/mine/8hq6) | KL2 in complex with CRM1-Ran-RanBP1 | Descriptor: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | Authors: | Sun, Q, Jian, L. | Deposit date: | 2022-12-13 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors. J.Med.Chem., 66, 2023
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8HQ3
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![BU of 8hq3 by Molmil](/molmil-images/mine/8hq3) | KL1 in complex with CRM1-Ran-RanBP1 | Descriptor: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | Authors: | Sun, Q, Jian, L. | Deposit date: | 2022-12-13 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors. J.Med.Chem., 66, 2023
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6CIM
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![BU of 6cim by Molmil](/molmil-images/mine/6cim) | Pre-Reaction Complex, RAG1(E962Q)/2-nicked/intact 12/23RSS complex in Mn2+ | Descriptor: | DNA (5'-D(*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3'), High mobility group protein B1, Intact 23RSS substrate forward strand, ... | Authors: | Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W. | Deposit date: | 2018-02-24 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination. Mol. Cell, 70, 2018
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3B7B
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![BU of 3b7b by Molmil](/molmil-images/mine/3b7b) | EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 1) | Descriptor: | Euchromatic histone-lysine N-methyltransferase 1, SULFATE ION | Authors: | Collins, R.E, Horton, J.R, Cheng, X. | Deposit date: | 2007-10-30 | Release date: | 2008-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The ankyrin repeats of G9a and GLP histone methyltransferases are mono- and dimethyllysine binding modules Nat.Struct.Mol.Biol., 15, 2008
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5KML
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1O3S
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![BU of 1o3s by Molmil](/molmil-images/mine/1o3s) | PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | Authors: | Chen, S, Ebright, R.H, Berman, H.M. | Deposit date: | 2003-03-18 | Release date: | 2003-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: Alteration of DNA Binding Specificity Through Alteration of DNA Kinking J.Mol.Biol., 314, 2001
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5KMN
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6O3I
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![BU of 6o3i by Molmil](/molmil-images/mine/6o3i) | Crystal Structure of Human IDO1 bound to navoximod (NLG-919) | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol | Authors: | Harris, S.F, Oh, A. | Deposit date: | 2019-02-26 | Release date: | 2019-07-17 | Last modified: | 2019-08-07 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1. J.Med.Chem., 62, 2019
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5KMK
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![BU of 5kmk by Molmil](/molmil-images/mine/5kmk) | |
4Z7P
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![BU of 4z7p by Molmil](/molmil-images/mine/4z7p) | X-ray structure of racemic ShK Q16K toxin | Descriptor: | Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION | Authors: | Sickmier, E.A. | Deposit date: | 2015-04-07 | Release date: | 2015-09-09 | Last modified: | 2015-09-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3. J.Med.Chem., 58, 2015
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5V5F
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![BU of 5v5f by Molmil](/molmil-images/mine/5v5f) | Crystal structure of RICE1 (PNT2) | Descriptor: | At3g11770 | Authors: | Li, P. | Deposit date: | 2017-03-14 | Release date: | 2017-09-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.945 Å) | Cite: | RISC-interacting clearing 3'- 5' exoribonucleases (RICEs) degrade uridylated cleavage fragments to maintain functional RISC in Arabidopsis thaliana. Elife, 6, 2017
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3B95
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![BU of 3b95 by Molmil](/molmil-images/mine/3b95) | EuHMT1 (Glp) Ankyrin Repeat Domain (Structure 2) | Descriptor: | Euchromatic histone-lysine N-methyltransferase 1, Histone H3 N-terminal Peptide, SULFATE ION | Authors: | Collins, R.E, Horton, J.R, Cheng, X. | Deposit date: | 2007-11-02 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The ankyrin repeats of G9a and GLP histone methyltransferases are mono- and dimethyllysine binding modules. Nat.Struct.Mol.Biol., 15, 2008
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2AOV
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![BU of 2aov by Molmil](/molmil-images/mine/2aov) | Histamine Methyltransferase Complexed with the Antifolate Drug Metoprine | Descriptor: | 4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE, 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE, Histamine N-methyltransferase | Authors: | Horton, J.R, Sawada, K, Nishibori, M, Cheng, X. | Deposit date: | 2005-08-14 | Release date: | 2005-09-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural basis for inhibition of histamine N-methyltransferase by diverse drugs J.Mol.Biol., 353, 2005
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2AOU
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![BU of 2aou by Molmil](/molmil-images/mine/2aou) | Histamine Methyltransferase Complexed with the Antimalarial Drug Amodiaquine | Descriptor: | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL, Histamine N-methyltransferase | Authors: | Horton, J.R, Sawada, K, Nishibori, M, Cheng, X. | Deposit date: | 2005-08-14 | Release date: | 2005-09-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for inhibition of histamine N-methyltransferase by diverse drugs J.Mol.Biol., 353, 2005
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6B0Q
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![BU of 6b0q by Molmil](/molmil-images/mine/6b0q) | Zinc finger Domain of WT1(-KTS form) with 13+1mer Oligonucleotide with 3' Triplet TGT | Descriptor: | DNA (5'-D(P*AP*AP*CP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*TP*GP*GP*GP*AP*GP*TP*GP*TP*T)-3'), SULFATE ION, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-09-14 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites. Nucleic Acids Res., 46, 2018
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