7WJJ
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![BU of 7wjj by Molmil](/molmil-images/mine/7wjj) | Complex structure of AtHPPD-PyQ2 | Descriptor: | 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]-N-(2-pyren-1-yloxyethyl)ethanamide, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | Deposit date: | 2022-01-06 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Design of an HPPD fluorescent probe and visualization of plant responses to abiotic stress Adv Agrochem, 2022
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7W2P
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![BU of 7w2p by Molmil](/molmil-images/mine/7w2p) | Tudor domain of SMN in complex with a small molecule | Descriptor: | 2-[(4-fluorophenyl)methyl]-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7)-dien-8-imine, MAGNESIUM ION, Survival motor neuron protein, ... | Authors: | Li, W, Arrowsmith, C.H, Edwards, A.M, Liu, Y, Min, J. | Deposit date: | 2021-11-24 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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4WZU
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![BU of 4wzu by Molmil](/molmil-images/mine/4wzu) | Crystal structure of beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, SODIUM ION | Authors: | Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Chordia, M.D, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-11-20 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae To Be Published
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4WZY
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![BU of 4wzy by Molmil](/molmil-images/mine/4wzy) | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway (ATP complex) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Maltokinase | Authors: | Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S. | Deposit date: | 2014-11-20 | Release date: | 2015-02-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway. Sci Rep, 5, 2015
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7WJV
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![BU of 7wjv by Molmil](/molmil-images/mine/7wjv) | Crystal structure of human liver FBPase complexed with an covalent inhibitor | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | Authors: | Cao, H, Huang, Y, Ren, Y, Wan, J. | Deposit date: | 2022-01-08 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.724 Å) | Cite: | N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction. J.Med.Chem., 65, 2022
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1JBO
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![BU of 1jbo by Molmil](/molmil-images/mine/1jbo) | The 1.45A Three-Dimensional Structure of c-Phycocyanin from the Thermophylic Cyanobacterium Synechococcus elongatus | Descriptor: | C-Phycocyanin alpha chain, C-Phycocyanin beta chain, PHYCOCYANOBILIN | Authors: | Nield, J, Rizkallah, P.J, Barber, J, Chayen, N.E. | Deposit date: | 2002-05-02 | Release date: | 2003-03-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The 1.45A three-dimensional structure of C-phycocyanin from the
thermophilic cyanobacterium Synechococcus elongatus J.STRUCT.BIOL., 141, 2003
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4WRR
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![BU of 4wrr by Molmil](/molmil-images/mine/4wrr) | A putative diacylglycerol kinase from Bacillus anthracis str. Sterne | Descriptor: | MAGNESIUM ION, putative diacylglycerol kinase | Authors: | Hou, J, Zheng, H, Cooper, D.R, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-24 | Release date: | 2014-11-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of a putative diacylglycerol kinase from Bacillus anthracis str. Sterne to be published
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7W30
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![BU of 7w30 by Molmil](/molmil-images/mine/7w30) | Tudor domain of SMN in complex with a small molecule | Descriptor: | 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | Authors: | Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J. | Deposit date: | 2021-11-24 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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3FXZ
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![BU of 3fxz by Molmil](/molmil-images/mine/3fxz) | |
6OAW
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![BU of 6oaw by Molmil](/molmil-images/mine/6oaw) | Crystal structure of a CRISPR Cas-related protein | Descriptor: | UNKNOWN ATOM OR ION, WYL1 | Authors: | Zhang, H, Dong, C, Li, L, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-18 | Release date: | 2019-04-10 | Last modified: | 2019-06-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the modulatory role of the accessory protein WYL1 in the Type VI-D CRISPR-Cas system. Nucleic Acids Res., 47, 2019
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6OBL
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![BU of 6obl by Molmil](/molmil-images/mine/6obl) | JAK2 JH2 in complex with JAK168 | Descriptor: | Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid | Authors: | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-21 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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3ZVA
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![BU of 3zva by Molmil](/molmil-images/mine/3zva) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 75 | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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1JIU
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![BU of 1jiu by Molmil](/molmil-images/mine/1jiu) | T4 Phage BGT in Complex with Mg2+ : Form I | Descriptor: | DNA BETA-GLUCOSYLTRANSFERASE, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE | Authors: | Morera, S, Lariviere, L, Kurzeck, J, Aschke-Sonnenborn, U, Freemont, P.S, Janin, J, Ruger, W. | Deposit date: | 2001-07-03 | Release date: | 2001-08-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High resolution crystal structures of T4 phage beta-glucosyltransferase: induced fit and effect of substrate and metal binding. J.Mol.Biol., 311, 2001
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8X52
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![BU of 8x52 by Molmil](/molmil-images/mine/8x52) | Cryo-EM structure of human gamma-secretase in complex with Abeta49 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2023-11-16 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular mechanism of substrate recognition and cleavage by human gamma-secretase. Science, 384, 2024
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4X6F
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![BU of 4x6f by Molmil](/molmil-images/mine/4x6f) | CD1a binary complex with sphingomyelin | Descriptor: | (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont- 23-en-1-aminium 4-oxide, Beta-2-microglobulin, T-cell surface glycoprotein CD1a | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2014-12-08 | Release date: | 2015-02-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands. Nat.Immunol., 16, 2015
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8X53
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![BU of 8x53 by Molmil](/molmil-images/mine/8x53) | Cryo-EM structure of human gamma-secretase in complex with Abeta46 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y. | Deposit date: | 2023-11-16 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular mechanism of substrate recognition and cleavage by human gamma-secretase. Science, 384, 2024
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4Y97
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![BU of 4y97 by Molmil](/molmil-images/mine/4y97) | Crystal Structure of human Pol alpha B-subunit in complex with C-terminal domain of catalytic subunit | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ZINC ION | Authors: | Suwa, Y, Gu, J, Baranovskiy, A.G, Babayeva, N.D, Tahirov, T.H. | Deposit date: | 2015-02-17 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal Structure of the Human Pol alpha B Subunit in Complex with the C-terminal Domain of the Catalytic Subunit. J.Biol.Chem., 290, 2015
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6RAD
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![BU of 6rad by Molmil](/molmil-images/mine/6rad) | Salmonella ATPase InvC with ADP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Bernal, I, Roemermann, J, Flacht, L, Lunelli, M, Uetrecht, C, Kolbe, M. | Deposit date: | 2019-04-05 | Release date: | 2019-08-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Structural analysis of ligand-bound states of the Salmonella type III secretion system ATPase InvC. Protein Sci., 28, 2019
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6O68
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![BU of 6o68 by Molmil](/molmil-images/mine/6o68) | |
4YNZ
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![BU of 4ynz by Molmil](/molmil-images/mine/4ynz) | Structure of the N-terminal domain of SAD | Descriptor: | Serine/threonine-protein kinase BRSK2 | Authors: | Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W. | Deposit date: | 2015-03-11 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into the mechanism of synergistic autoinhibition of SAD kinases Nat Commun, 6, 2015
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3ZV9
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![BU of 3zv9 by Molmil](/molmil-images/mine/3zv9) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 74 | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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4FJ4
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![BU of 4fj4 by Molmil](/molmil-images/mine/4fj4) | Crystal structure of the protein Q9HRE7 complexed with mercury from Halobacterium salinarium at the resolution 2.1A, Northeast Structural Genomics Consortium target HsR50 | Descriptor: | ETHYL MERCURY ION, SODIUM ION, Uncharacterized protein | Authors: | Kuzin, A, Chen, Y, Vorobiev, S.M, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Maglaqui, M, Owens, L.A, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-11 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Northeast Structural Genomics Consortium Target HsR50 To be Published
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8UWU
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![BU of 8uwu by Molmil](/molmil-images/mine/8uwu) | EmrE structure in the proton-bound state (WT/L51I heterodimer) | Descriptor: | SMR family multidrug efflux protein EmrE | Authors: | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | Deposit date: | 2023-11-08 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | SOLID-STATE NMR, SOLUTION NMR | Cite: | Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE. Nat Commun, 15, 2024
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1R3N
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![BU of 1r3n by Molmil](/molmil-images/mine/1r3n) | Crystal structure of beta-alanine synthase from Saccharomyces kluyveri | Descriptor: | BETA-AMINO ISOBUTYRATE, ZINC ION, beta-alanine synthase | Authors: | Lundgren, S, Gojkovic, Z, Piskur, J, Dobritzsch, D. | Deposit date: | 2003-10-02 | Release date: | 2003-11-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Yeast beta-Alanine Synthase Shares a Structural Scaffold and Origin with Dizinc-dependent Exopeptidases J.Biol.Chem., 278, 2003
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6QB8
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![BU of 6qb8 by Molmil](/molmil-images/mine/6qb8) | Human CCT:mLST8 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | Authors: | Cuellar, J, Santiago, C, Ludlam, W.G, Bueno-Carrasco, M.T, Valpuesta, J.M, Willardson, B.M. | Deposit date: | 2018-12-20 | Release date: | 2019-07-03 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Structural and functional analysis of the role of the chaperonin CCT in mTOR complex assembly. Nat Commun, 10, 2019
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