8HY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hy5 by Molmil](/molmil-images/mine/8hy5) | Structure of D-amino acid oxidase mutant R38H | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, D-amino-acid oxidase, ... | Authors: | Khan, S, Upadhyay, S, Dave, U, Kumar, A, Gomes, J. | Deposit date: | 2023-01-05 | Release date: | 2023-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and mechanistic insights into ALS patient derived mutations in D-amino acid oxidase. Int.J.Biol.Macromol., 256, 2023
|
|
4HKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hkp by Molmil](/molmil-images/mine/4hkp) | Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N3-oxide | Descriptor: | 5-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ... | Authors: | To, T.K, Kotra, L.P, Pai, E.F. | Deposit date: | 2012-10-15 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist. J.Med.Chem., 55, 2012
|
|
6TBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tbj by Molmil](/molmil-images/mine/6tbj) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide, Beta-galactosidase, putative, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
|
|
6TBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tbh by Molmil](/molmil-images/mine/6tbh) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
|
|
1G3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g3c by Molmil](/molmil-images/mine/1g3c) | BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO SCHIFF BASE IRON(III) CHELATE | Descriptor: | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | Deposit date: | 2000-10-23 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates. J.Mol.Biol., 305, 2001
|
|
4LVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lvx by Molmil](/molmil-images/mine/4lvx) | |
4LXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lxy by Molmil](/molmil-images/mine/4lxy) | Crystal structure WlaRD, a sugar 3N-formyl transferase in the presence of dTDP and 10-N-Formyl-THF | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, N-{4-[{[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-L-glutamic acid, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Thoden, J.B, Goneau, M.-F, Gilbert, M, Holden, H.M. | Deposit date: | 2013-07-30 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure of a sugar N-formyltransferase from Campylobacter jejuni. Biochemistry, 52, 2013
|
|
1G3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g3e by Molmil](/molmil-images/mine/1g3e) | BOVINE BETA-TRYPSIN BOUND TO PARA-AMIDINO SCHIFF-BASE COPPER (II) CHELATE | Descriptor: | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | Deposit date: | 2000-10-23 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates. J.Mol.Biol., 305, 2001
|
|
1QC5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qc5 by Molmil](/molmil-images/mine/1qc5) | I Domain from Integrin Alpha1-Beta1 | Descriptor: | MAGNESIUM ION, PROTEIN (ALPHA1 BETA1 INTEGRIN) | Authors: | Deivanayagam, C.C, Narayana, S.V. | Deposit date: | 1999-05-17 | Release date: | 2000-05-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Trench-shaped binding sites promote multiple classes of interactions between collagen and the adherence receptors, alpha(1)beta(1) integrin and Staphylococcus aureus cna MSCRAMM. J.Biol.Chem., 274, 1999
|
|
8IIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8iih by Molmil](/molmil-images/mine/8iih) | H109C mutant of uracil DNA glycosylase X | Descriptor: | IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase | Authors: | Aroli, S. | Deposit date: | 2023-02-24 | Release date: | 2023-06-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution. Nucleic Acids Res., 51, 2023
|
|
4MHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mhf by Molmil](/molmil-images/mine/4mhf) | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Glucuronate, space group P21 | Descriptor: | TRAP dicarboxylate transporter, DctP subunit, alpha-D-glucopyranuronic acid, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-08-29 | Release date: | 2013-09-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
|
|
4XSM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xsm by Molmil](/molmil-images/mine/4xsm) | Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with D-talitol | Descriptor: | D-altritol, D-tagatose 3-epimerase, MANGANESE (II) ION | Authors: | Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. | Deposit date: | 2015-01-22 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates Appl. Microbiol. Biotechnol., 100, 2016
|
|
4QJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qjr by Molmil](/molmil-images/mine/4qjr) | Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4 a resolution | Descriptor: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, ACETATE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | Authors: | Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) | Deposit date: | 2014-06-04 | Release date: | 2014-07-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4M4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m4a by Molmil](/molmil-images/mine/4m4a) | Human Hemoglobin Nitromethane Modified | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Yi, J, Guan, Y, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2013-08-06 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Degradation of human hemoglobin by organic C-nitroso compounds. Chem.Commun.(Camb.), 49, 2013
|
|
6HUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hug by Molmil](/molmil-images/mine/6hug) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with picrotoxin and megabody Mb38. | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
|
|
6HUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6huo by Molmil](/molmil-images/mine/6huo) | CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with alprazolam (Xanax), GABA and megabody Mb38. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-09 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
|
|
5C4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c4u by Molmil](/molmil-images/mine/5c4u) | |
2PMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pmh by Molmil](/molmil-images/mine/2pmh) | Crystal structure of Thr132Ala of ST1022 from Sulfolobus tokodaii | Descriptor: | 150aa long hypothetical transcriptional regulator, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Kumarevel, T.S, Karthe, P, Nakano, N, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-22 | Release date: | 2008-04-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of glutamine receptor protein from Sulfolobus tokodaii strain 7 in complex with its effector L-glutamine: implications of effector binding in molecular association and DNA binding Nucleic Acids Res., 36, 2008
|
|
6HUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6huj by Molmil](/molmil-images/mine/6huj) | CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with picrotoxin, GABA and megabody Mb38. | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
|
|
3ZSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zsi by Molmil](/molmil-images/mine/3zsi) | X-ray structure of p38alpha bound to VX-745 | Descriptor: | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, MITOGEN-ACTIVATED PROTEIN KINASE 14, octyl beta-D-glucopyranoside | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-28 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
|
|
1DTM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dtm by Molmil](/molmil-images/mine/1dtm) | |
6HUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hup by Molmil](/molmil-images/mine/6hup) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-09 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
|
|
3GON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gon by Molmil](/molmil-images/mine/3gon) | Streptococcus pneumoniae Phosphomevalonate Kinase in Complex with Phosphomevalonate and AMPPNP | Descriptor: | (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Andreassi, J.L, Bilder, P.W, Vetting, M.W, Roderick, S.L, Leyh, T.S. | Deposit date: | 2009-03-19 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the ternary complex of phosphomevalonate kinase: the enzyme and its family Biochemistry, 48, 2009
|
|
5C4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c4s by Molmil](/molmil-images/mine/5c4s) | |
1GO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1go4 by Molmil](/molmil-images/mine/1go4) | Crystal structure of Mad1-Mad2 reveals a conserved Mad2 binding motif in Mad1 and Cdc20. | Descriptor: | Mitotic spindle assembly checkpoint protein MAD1, Mitotic spindle assembly checkpoint protein MAD2A | Authors: | Sironi, L, Mapelli, M, Jeang, K.T, Musacchio, A. | Deposit date: | 2001-10-17 | Release date: | 2002-05-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the tetrameric Mad1-Mad2 core complex: implications of a 'safety belt' binding mechanism for the spindle checkpoint. EMBO J., 21, 2002
|
|