3RAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3raa by Molmil](/molmil-images/mine/3raa) | Structural studies of AAV8 capsid transitions associated with endosomal trafficking | Descriptor: | ADENOSINE MONOPHOSPHATE, Capsid protein | Authors: | Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M. | Deposit date: | 2011-03-27 | Release date: | 2011-09-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking. J.Virol., 85, 2011
|
|
6SQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sqk by Molmil](/molmil-images/mine/6sqk) | |
3RSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rsf by Molmil](/molmil-images/mine/3rsf) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P4-Di(adenosine-5') tetraphosphate | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, POTASSIUM ION, Putative uncharacterized protein, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
3RP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rp1 by Molmil](/molmil-images/mine/3rp1) | Crystal structure of Human LAIR-1 in C2 space group | Descriptor: | Leukocyte-associated immunoglobulin-like receptor 1 | Authors: | Sampathkumar, P, Ramagopal, U.A, Yan, Q, Toro, R, Nathenson, S, Bonanno, J, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-04-26 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of Human LAIR-1 in C2 space group To be Published
|
|
3RPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rpz by Molmil](/molmil-images/mine/3rpz) | Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with NADPH | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-27 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
3RTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rtb by Molmil](/molmil-images/mine/3rtb) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Adenosine-3'-5'-Diphosphate | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, GLYCEROL, POTASSIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-03 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
6SSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ssa by Molmil](/molmil-images/mine/6ssa) | Human Leukocyte Antigen Class I A02 Carrying LLWNGPMQV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | Authors: | Rizkallah, P.J, Bovay, A. | Deposit date: | 2019-09-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
|
|
6SW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sw8 by Molmil](/molmil-images/mine/6sw8) | Crystal structure of the NS1 (H7N1) RNA-binding domain | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Non-structural protein 1 | Authors: | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | Deposit date: | 2019-09-20 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.933 Å) | Cite: | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1. Viruses, 12, 2020
|
|
7Q7V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q7v by Molmil](/molmil-images/mine/7q7v) | Crystal structure of human BCL6 BTB domain in complex with compound 12a | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-11-09 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J.Med.Chem., 65, 2022
|
|
7QK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qk0 by Molmil](/molmil-images/mine/7qk0) | Crystal structure of human BCL6 BTB domain in complex with compound 12a | Descriptor: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2021-12-17 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo . J.Med.Chem., 65, 2022
|
|
6SS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ss9 by Molmil](/molmil-images/mine/6ss9) | Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rizkallah, P.J, Bovay, A. | Deposit date: | 2019-09-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
|
|
3ROG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rog by Molmil](/molmil-images/mine/3rog) | Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Thymidine 3'-monophosphate | Descriptor: | Apolipoprotein A-I-binding protein, SULFATE ION, THYMIDINE-3'-PHOSPHATE | Authors: | Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W. | Deposit date: | 2011-04-25 | Release date: | 2012-07-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
3RNO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rno by Molmil](/molmil-images/mine/3rno) | Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with NADP. | Descriptor: | Apolipoprotein A-I-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W. | Deposit date: | 2011-04-22 | Release date: | 2012-05-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
3RQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rqq by Molmil](/molmil-images/mine/3rqq) | Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis in complex with P1,P3-Di(adenosine-5') triphosphate | Descriptor: | ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE, BIS(ADENOSINE)-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-28 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
6T13
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t13 by Molmil](/molmil-images/mine/6t13) | CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M. | Deposit date: | 2019-10-03 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6SHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6shv by Molmil](/molmil-images/mine/6shv) | T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine | Descriptor: | 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | Deposit date: | 2019-08-08 | Release date: | 2020-08-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
|
|
3ROZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3roz by Molmil](/molmil-images/mine/3roz) | Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Nicotinamide | Descriptor: | Apolipoprotein A-I-binding protein, NICOTINAMIDE, SULFATE ION | Authors: | Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W. | Deposit date: | 2011-04-26 | Release date: | 2012-07-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
3RS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rs8 by Molmil](/molmil-images/mine/3rs8) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
3RQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rq8 by Molmil](/molmil-images/mine/3rq8) | Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis soaked with P1,P5-Di(adenosine-5') pentaphosphate | Descriptor: | ADP/ATP-dependent NAD(P)H-hydrate dehydratase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION | Authors: | Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-27 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
6SJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sjz by Molmil](/molmil-images/mine/6sjz) | HsNMT1 in complex with both MyrCoA and Acetylated-GNCFSKPR substrates | Descriptor: | Apoptosis-inducing factor 3, CHLORIDE ION, GLYCEROL, ... | Authors: | Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T. | Deposit date: | 2019-08-14 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation. Nat Commun, 11, 2020
|
|
3RTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rte by Molmil](/molmil-images/mine/3rte) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADP and ATP. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-03 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
3RS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rs9 by Molmil](/molmil-images/mine/3rs9) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P3-Di(adenosine-5') triphosphate | Descriptor: | BIS(ADENOSINE)-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
6SKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6skd by Molmil](/molmil-images/mine/6skd) | Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3397892A | Descriptor: | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, GLYCEROL, Kallikrein-6, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-08-15 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
|
|
3RSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rsq by Molmil](/molmil-images/mine/3rsq) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, POTASSIUM ION, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
|
|
6SX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sx2 by Molmil](/molmil-images/mine/6sx2) | dsRNA recognition by R38AK41A mutant of H7N1 NS1 RNA Binding Domain | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 1, RNA (5'-R(*GP*GP*UP*AP*AP*CP*UP*GP*UP*UP*AP*CP*AP*GP*UP*UP*AP*CP*C)-3') | Authors: | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | Deposit date: | 2019-09-24 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1. Viruses, 12, 2020
|
|