6DAI
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![BU of 6dai by Molmil](/molmil-images/mine/6dai) | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | Descriptor: | 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5 | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
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4U75
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![BU of 4u75 by Molmil](/molmil-images/mine/4u75) | HsMetAP (F309M) in complex with Methionine | Descriptor: | COBALT (II) ION, GLYCEROL, METHIONINE, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-30 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U1B
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![BU of 4u1b by Molmil](/molmil-images/mine/4u1b) | HsMetAP in complex with (1-amino-2-propylpentyl)phosphonic acid | Descriptor: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-15 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6J
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![BU of 4u6j by Molmil](/molmil-images/mine/4u6j) | HsMetAP in complex with methionine | Descriptor: | COBALT (II) ION, GLYCEROL, METHIONINE, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-29 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6E
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![BU of 4u6e by Molmil](/molmil-images/mine/4u6e) | HsMetAP in complex with (amino(phenyl)methyl)phosphonic acid | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1, [(R)-amino(phenyl)methyl]phosphonic acid | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-28 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6Z
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![BU of 4u6z by Molmil](/molmil-images/mine/4u6z) | |
5VFC
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![BU of 5vfc by Molmil](/molmil-images/mine/5vfc) | WDR5 bound to inhibitor MM-589 | Descriptor: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2017-04-07 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J. Med. Chem., 60, 2017
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4U6C
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![BU of 4u6c by Molmil](/molmil-images/mine/4u6c) | |
6DAR
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![BU of 6dar by Molmil](/molmil-images/mine/6dar) | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | Descriptor: | DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ... | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
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4U69
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![BU of 4u69 by Molmil](/molmil-images/mine/4u69) | HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-28 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U70
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![BU of 4u70 by Molmil](/molmil-images/mine/4u70) | |
4U76
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![BU of 4u76 by Molmil](/molmil-images/mine/4u76) | HsMetAP (F309M) holo form | Descriptor: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-30 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U73
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6DAS
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![BU of 6das by Molmil](/molmil-images/mine/6das) | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | Descriptor: | N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5 | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
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6DAK
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![BU of 6dak by Molmil](/molmil-images/mine/6dak) | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | Descriptor: | DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5 | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
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2YS8
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![BU of 2ys8 by Molmil](/molmil-images/mine/2ys8) | Solution structure of the DnaJ-like domain from human ras-associated protein Rap1 | Descriptor: | Rab-related GTP-binding protein RabJ | Authors: | Ohnishi, S, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-03 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the DnaJ-like domain from human ras-associated protein Rap1 To be Published
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1HW5
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![BU of 1hw5 by Molmil](/molmil-images/mine/1hw5) | THE CAP/CRP VARIANT T127L/S128A | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR | Authors: | Chu, S.Y, Tordova, M, Gilliland, G.L, Gorshkova, I, Shi, Y. | Deposit date: | 2001-01-09 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The structure of the T127L/S128A mutant of cAMP receptor protein facilitates promoter site binding J.Biol.Chem., 276, 2001
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6VA7
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![BU of 6va7 by Molmil](/molmil-images/mine/6va7) | |
7KNE
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![BU of 7kne by Molmil](/molmil-images/mine/7kne) | Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KNI
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![BU of 7kni by Molmil](/molmil-images/mine/7kni) | Cryo-EM structure of Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KNB
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![BU of 7knb by Molmil](/molmil-images/mine/7knb) | Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-09 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6VA8
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![BU of 6va8 by Molmil](/molmil-images/mine/6va8) | |
7KMB
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![BU of 7kmb by Molmil](/molmil-images/mine/7kmb) | ACE2-RBD Focused Refinement Using Symmetry Expansion of Applied C3 for Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-02 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KNH
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![BU of 7knh by Molmil](/molmil-images/mine/7knh) | Cryo-EM Structure of Double ACE2-Bound SARS-CoV-2 Trimer Spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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6PBT
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![BU of 6pbt by Molmil](/molmil-images/mine/6pbt) | Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 2 hours | Descriptor: | 1,2-ETHANEDIOL, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McFarlane, J.S, Lamb, A.L. | Deposit date: | 2019-06-14 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores. J.Biol.Chem., 294, 2019
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