1QJA
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![BU of 1qja by Molmil](/molmil-images/mine/1qja) | 14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 2) | Descriptor: | 14-3-3 PROTEIN ZETA, PHOSPHOPEPTIDE | Authors: | Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B. | Deposit date: | 1999-06-23 | Release date: | 1999-09-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding Mol.Cell, 4, 1999
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1T8V
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![BU of 1t8v by Molmil](/molmil-images/mine/1t8v) | |
6ZB0
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6QIR
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![BU of 6qir by Molmil](/molmil-images/mine/6qir) | Crystal structure of CAG repeats with synthetic CMBL3a compound (model I) | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.531 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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1M7O
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![BU of 1m7o by Molmil](/molmil-images/mine/1m7o) | Plasmodium Falciparum Triosephosphate isomerase (PfTIM) compled to substrate analog 3-phosphoglycerate (3PG) | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Triosephosphate Isomerase | Authors: | Parthasarathy, S, Balaram, H, Balaram, P, Murthy, M.R.N. | Deposit date: | 2002-07-22 | Release date: | 2002-11-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of Plasmodium falciparum triosephosphate isomerase complexed to substrate analogues: observation of the catalytic loop in the open conformation in the ligand-bound state. Acta Crystallogr.,Sect.D, 58, 2002
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6U3K
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![BU of 6u3k by Molmil](/molmil-images/mine/6u3k) | The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4 | Descriptor: | 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-08-21 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases. Biochemistry, 59, 2020
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2DXC
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![BU of 2dxc by Molmil](/molmil-images/mine/2dxc) | Recombinant thiocyanate hydrolase, fully-matured form | Descriptor: | COBALT (III) ION, L(+)-TARTARIC ACID, Thiocyanate hydrolase subunit alpha, ... | Authors: | Arakawa, T, Kawano, Y, Katayama, Y, Yohda, M, Odaka, M. | Deposit date: | 2006-08-25 | Release date: | 2007-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Catalytic Activation of Thiocyanate Hydrolase Involving Metal-Ligated Cysteine Modification J.Am.Chem.Soc., 131, 2009
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6ZB1
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![BU of 6zb1 by Molmil](/molmil-images/mine/6zb1) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK620 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide | Authors: | Chung, C. | Deposit date: | 2020-06-06 | Release date: | 2020-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. J.Med.Chem., 63, 2020
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6UD6
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![BU of 6ud6 by Molmil](/molmil-images/mine/6ud6) | Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions | Descriptor: | CHLORIDE ION, GLYCEROL, Streptavidin | Authors: | Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. | Deposit date: | 2019-09-18 | Release date: | 2020-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid. Biochemistry, 60, 2021
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6UDC
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![BU of 6udc by Molmil](/molmil-images/mine/6udc) | Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions | Descriptor: | BIOTIN, Streptavidin | Authors: | Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid. Biochemistry, 60, 2021
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4RL7
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7XQA
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![BU of 7xqa by Molmil](/molmil-images/mine/7xqa) | Orf1-glycine complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-07 | Release date: | 2023-05-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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5OVZ
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![BU of 5ovz by Molmil](/molmil-images/mine/5ovz) | High resolution structure of the PBP NocT in complex with nopaline | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ... | Authors: | Vigouroux, A, Morera, S. | Deposit date: | 2017-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
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1ML7
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![BU of 1ml7 by Molmil](/molmil-images/mine/1ml7) | Crystal structure of nitrophorin 4 complexed with 4-iodopyrazole | Descriptor: | 4-IODOPYRAZOLE, 5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX, nitrophorin 4 | Authors: | Berry, R.E, Ding, X.D, Weichsel, A, Montfort, W.R, Walker, F.A. | Deposit date: | 2002-08-30 | Release date: | 2002-09-20 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Axial ligand complexes of the Rhodnius nitrophorins: reduction potentials, binding constants, EPR spectra, and structures of the 4-iodopyrazole and imidazole complexes of NP4 J.Biol.Inorg.Chem., 9, 2004
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7OPQ
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![BU of 7opq by Molmil](/molmil-images/mine/7opq) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | Descriptor: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPP
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![BU of 7opp by Molmil](/molmil-images/mine/7opp) | Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7XYE
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![BU of 7xye by Molmil](/molmil-images/mine/7xye) | The apo structure of Orf1 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-06-01 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.482 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7XXC
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![BU of 7xxc by Molmil](/molmil-images/mine/7xxc) | Orf1-glycine-glycylthricin complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-29 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7XXM
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![BU of 7xxm by Molmil](/molmil-images/mine/7xxm) | Orf1-glycine-4-aminobutylthricin complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-30 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7XX0
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![BU of 7xx0 by Molmil](/molmil-images/mine/7xx0) | C281S glycylthricin complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7XYL
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![BU of 7xyl by Molmil](/molmil-images/mine/7xyl) | E426Q-glycine-glycylthricin complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-06-01 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7XXD
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![BU of 7xxd by Molmil](/molmil-images/mine/7xxd) | Orf1-sarcosine complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase, SARCOSINE | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-29 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7XXR
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![BU of 7xxr by Molmil](/molmil-images/mine/7xxr) | Orf1 R342A-glycylthricin complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase, [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-30 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7Y0X
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![BU of 7y0x by Molmil](/molmil-images/mine/7y0x) | Orf1-glycine complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-06-06 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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7XXP
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![BU of 7xxp by Molmil](/molmil-images/mine/7xxp) | F316A-glycine-streptothricin F complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase, ... | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-30 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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