7NSN
 
 | | Multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis: mannoimidazole complex | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Kolaczkowski, B.M, Moroz, O.V, Blagova, E, Davies, G.J, Wilson, K.S, Moeler, M.S, Meyer, A.S, Westh, P, Jensen, K, Krogh, K.B.R.M. | | Deposit date: | 2021-03-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural and functional characterization of a multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
6YTI
 | | CLK1 bound with ETH1610 (Cpd 17) | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
|
|
3CWF
 | | Crystal structure of PAS domain of two-component sensor histidine kinase | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alkaline phosphatase synthesis sensor protein phoR | | Authors: | Chang, C, Tesar, C, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-04-21 | | Release date: | 2008-05-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Extracytoplasmic PAS-like domains are common in signal transduction proteins.
J.Bacteriol., 192, 2010
|
|
6ZGZ
 | | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2020-06-20 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
|
|
7OA4
 | | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound L-742,001 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, FORMIC ACID, MANGANESE (II) ION, ... | | Authors: | Feracci, M, Hernandez, S, Vincentelli, R, Ferron, F, Reguera, J, Canard, B, Alvarez, K. | | Deposit date: | 2021-04-19 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound L-742,001
To Be Published
|
|
3CLL
 | | Crystal structure of the Spinach Aquaporin SoPIP2;1 S115E mutant | | Descriptor: | Aquaporin | | Authors: | Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Trnroth-Horsefield, S. | | Deposit date: | 2008-03-19 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating.
J.Mol.Biol., 387, 2009
|
|
5YP2
 | | Crystal structure of dipeptidyl peptidase IV (DPP IV) with DPP4 inhibitor from Pseudoxanthomonas mexicana WO24 | | Descriptor: | (2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile, Dipeptidyl aminopeptidase 4, GLYCEROL | | Authors: | Roppongi, S, Suzuki, Y, Tateoka, C, Fuimoto, M, Morisawa, S, Iizuka, I, Nakamura, A, Honma, N, Shida, Y, Ogasawara, W, Tanaka, N, Sakamoto, Y, Nonaka, T. | | Deposit date: | 2017-11-01 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of a bacterial dipeptidyl peptidase IV reveal a novel substrate recognition mechanism distinct from that of mammalian orthologues.
Sci Rep, 8, 2018
|
|
7OQZ
 | | Cryo-EM structure of human TMEM45A | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Transmembrane protein 45A | | Authors: | Grieben, M, Pike, A.C.W, Evans, A, Shrestha, L, Venkaya, S, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Carpenter, E.P. | | Deposit date: | 2021-06-04 | | Release date: | 2021-06-16 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | CryoEM structure of human TMEM45A
To Be Published
|
|
7OKX
 | | Structure of active transcription elongation complex Pol II-DSIF (SPT5-KOW5)-ELL2-EAF1 (composite structure) | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Chen, Y, Vos, S.M, Dienemann, C, Ninov, M, Urlaub, H, Cramer, P. | | Deposit date: | 2021-05-18 | | Release date: | 2021-07-14 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Allosteric transcription stimulation by RNA polymerase II super elongation complex.
Mol.Cell, 81, 2021
|
|
7OLE
 | | Cryo-EM structure of the TELO2-TTI1-TTI2-RUVBL1-RUVBL2 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2, ... | | Authors: | Pal, M, Llorca, O, Pearl, L. | | Deposit date: | 2021-05-19 | | Release date: | 2021-07-07 | | Last modified: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Structure of the TELO2-TTI1-TTI2 complex and its function in TOR recruitment to the R2TP chaperone.
Cell Rep, 36, 2021
|
|
7OL0
 | | Structure of active transcription elongation complex Pol II-DSIF (SPT5-KOW5) | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Chen, Y, Vos, S.M, Dienemann, C, Ninov, M, Urlaub, H, Cramer, P. | | Deposit date: | 2021-05-18 | | Release date: | 2021-07-14 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Allosteric transcription stimulation by RNA polymerase II super elongation complex.
Mol.Cell, 81, 2021
|
|
2JGS
 | | Circular permutant of avidin | | Descriptor: | BIOTIN, CIRCULAR PERMUTANT OF AVIDIN | | Authors: | Maatta, J.A.E, Hytonen, V.P, Airenne, T.T, Niskanen, E, Johnson, M.S, Kulomaa, M.S, Nordlund, H.R. | | Deposit date: | 2007-02-14 | | Release date: | 2008-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rational Modification of Ligand-Binding Preference of Avidin by Circular Permutation and Mutagenesis.
Chembiochem, 9, 2008
|
|
7OKY
 | | Structure of active transcription elongation complex Pol II-DSIF-ELL2-EAF1(composite structure) | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Chen, Y, Vos, S.M, Dienemann, C, Ninov, M, Urlaub, H, Cramer, P. | | Deposit date: | 2021-05-18 | | Release date: | 2021-07-14 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.14 Å) | | Cite: | Allosteric transcription stimulation by RNA polymerase II super elongation complex.
Mol.Cell, 81, 2021
|
|
5YKC
 | |
6YU1
 | | CLK3 bound with beta-carboline KH-CARB13 (Cpd 3) | | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-25 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
|
|
7OMA
 | | Thosea asigna virus RdRP domain elongation complex | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, RNA (5'-R(P*AP*AP*AP*UP*UP*UP*U)-3'), ... | | Authors: | Ferrero, D.S, Falqui, M, Verdaguer, N. | | Deposit date: | 2021-05-21 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Snapshots of a Non-Canonical RdRP in Action.
Viruses, 13, 2021
|
|
7OM9
 | |
7OM6
 | |
5YP3
 | | Crystal structure of dipeptidyl peptidase IV (DPP IV) with Ile-Pro from Pseudoxanthomonas mexicana | | Descriptor: | Dipeptidyl aminopeptidase 4, GLYCEROL, ISOLEUCINE, ... | | Authors: | Roppongi, S, Suzuki, Y, Tateoka, C, Fuimoto, M, Morisawa, S, Iizuka, I, Nakamura, A, Honma, N, Shida, Y, Ogasawara, W, Tanaka, N, Sakamoto, Y, Nonaka, T. | | Deposit date: | 2017-11-01 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal structures of a bacterial dipeptidyl peptidase IV reveal a novel substrate recognition mechanism distinct from that of mammalian orthologues.
Sci Rep, 8, 2018
|
|
7OM7
 | | Thosea asigna virus RdRP domain in complex with RNA and nucleotide UMPNPP | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | | Authors: | Ferrero, D.S, Falqui, M, Verdaguer, N. | | Deposit date: | 2021-05-21 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Snapshots of a Non-Canonical RdRP in Action.
Viruses, 13, 2021
|
|
5YJI
 | | Co-crystal structure of Mouse Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide | | Descriptor: | 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R. | | Deposit date: | 2017-10-10 | | Release date: | 2018-03-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
|
|
7ORE
 | | Crystal structure of JNK3 in complex with light-activated covalent inhibitor MR-II-249 with both non-covalent and covalent binding modes (compound 4) | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide, Mitogen-activated protein kinase 10 | | Authors: | Chaikuad, A, Reynders, M, Trauner, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-06-05 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Controlling the Covalent Reactivity of a Kinase Inhibitor with Light.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7OM2
 | | Thosea asigna virus RdRP domain in complex with Mg+2 | | Descriptor: | GLYCEROL, MAGNESIUM ION, RNA-dependent RNA polymerase, ... | | Authors: | Ferrero, D.S, Falqui, M, Verdaguer, N. | | Deposit date: | 2021-05-21 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Snapshots of a Non-Canonical RdRP in Action.
Viruses, 13, 2021
|
|
4NCC
 | | Neutralizing antibody to murine norovirus | | Descriptor: | Fab fragment heavy, Fab fragment light | | Authors: | Smith, T, Li, M. | | Deposit date: | 2013-10-24 | | Release date: | 2014-02-19 | | Last modified: | 2014-04-09 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Flexibility in surface-exposed loops in a virus capsid mediates escape from antibody neutralization.
J.Virol., 88, 2014
|
|
5YJF
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide | | Descriptor: | 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R. | | Deposit date: | 2017-10-10 | | Release date: | 2018-03-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
|
|
