4N9E
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![BU of 4n9e by Molmil](/molmil-images/mine/4n9e) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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3SZL
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![BU of 3szl by Molmil](/molmil-images/mine/3szl) | IspH:Ligand Mutants - wt 70sec | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | Deposit date: | 2011-07-19 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis. J.Mol.Biol., 416, 2012
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4NAK
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![BU of 4nak by Molmil](/molmil-images/mine/4nak) | Arabidopsis thaliana IspD in complex with pentabromo-pseudilin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | Deposit date: | 2013-10-22 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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5HZ3
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![BU of 5hz3 by Molmil](/molmil-images/mine/5hz3) | Plant peptide hormone receptor RGFR1 in complex with RGFR5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASP-PTR-PRO-LYS-PRO-SER-THR-ARG-PRO-HYP-ARG-HIS-ASN, ... | Authors: | Song, W, Han, Z, Chai, J. | Deposit date: | 2016-02-02 | Release date: | 2017-03-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Plant Receptor To Be Published
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3T4D
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![BU of 3t4d by Molmil](/molmil-images/mine/3t4d) | Crystal Structure of NaK2K Channel Y55F Mutant | Descriptor: | POTASSIUM ION, Potassium channel protein | Authors: | Sauer, D.B, Zeng, W, Raghunathan, S, Jiang, Y. | Deposit date: | 2011-07-25 | Release date: | 2011-10-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Protein interactions central to stabilizing the K+ channel selectivity filter in a four-sited configuration for selective K+ permeation. Proc.Natl.Acad.Sci.USA, 108, 2011
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5H7E
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![BU of 5h7e by Molmil](/molmil-images/mine/5h7e) | Crystal Structure of native drCPDase | Descriptor: | GLYCEROL, RNA 2',3'-cyclic phosphodiesterase, SULFATE ION | Authors: | Han, W, Hua, Y, Zhao, Y. | Deposit date: | 2016-11-18 | Release date: | 2017-09-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the RNA 2',3'-cyclic phosphodiesterase from Deinococcus radiodurans Acta Crystallogr F Struct Biol Commun, 73, 2017
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4N72
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3SZO
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![BU of 3szo by Molmil](/molmil-images/mine/3szo) | IspH:HMBPP complex after 3 minutes X-ray pre-exposure | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | Deposit date: | 2011-07-19 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis. J.Mol.Biol., 416, 2012
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4N9Z
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![BU of 4n9z by Molmil](/molmil-images/mine/4n9z) | |
4NAN
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![BU of 4nan by Molmil](/molmil-images/mine/4nan) | Arabidopsis thaliana IspD in complex with tetrabromo-pseudilin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | Deposit date: | 2013-10-22 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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5HAW
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5HBY
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![BU of 5hby by Molmil](/molmil-images/mine/5hby) | RNA primer-template complex with 2-methylimidazole-activated monomer analogue-3 binding sites | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*C)-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | Authors: | Zhang, W, Tam, C.P, Wang, J, Szostak, J.W. | Deposit date: | 2016-01-03 | Release date: | 2016-12-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
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5HEK
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![BU of 5hek by Molmil](/molmil-images/mine/5hek) | crystal structure of M1.HpyAVI | Descriptor: | Adenine specific DNA methyltransferase (DpnA) | Authors: | Ma, B, Zhang, H, Liu, W. | Deposit date: | 2016-01-06 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori Oncotarget, 7, 2016
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4NFF
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![BU of 4nff by Molmil](/molmil-images/mine/4nff) | Human kallikrein-related peptidase 2 in complex with PPACK | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Kallikrein-2 | Authors: | Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. | Deposit date: | 2013-10-31 | Release date: | 2014-10-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity J.Biol.Chem., 289, 2014
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3ST0
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![BU of 3st0 by Molmil](/molmil-images/mine/3st0) | Engineered medium-affinity halide-binding protein derived from YFP: halide-free | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Green fluorescent protein | Authors: | Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W. | Deposit date: | 2011-07-08 | Release date: | 2012-07-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Visualization of Synaptic Inhibition with an Optogenetic Sensor Developed by Cell-Free Protein Engineering Automation. J.Neurosci., 33, 2013
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5HJK
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3TC5
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![BU of 3tc5 by Molmil](/molmil-images/mine/3tc5) | Selective targeting of disease-relevant protein binding domains by O-phosphorylated natural product derivatives | Descriptor: | (11alpha,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate, HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Graeber, M, Janczyk, W, Sperl, B, Elumalai, N, Kozany, C, Hausch, F, Holak, T.A, Berg, T. | Deposit date: | 2011-08-08 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective targeting of disease-relevant protein binding domains by o-phosphorylated natural product derivatives. Acs Chem.Biol., 6, 2011
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5HJM
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![BU of 5hjm by Molmil](/molmil-images/mine/5hjm) | Crystal Structure of Pyrococcus abyssi Trm5a complexed with MTA | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ACETATE ION, HOMOSERINE LACTONE, ... | Authors: | Xie, W, Wang, C, Jia, Q. | Deposit date: | 2016-01-13 | Release date: | 2016-10-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | Crystal structures of the bifunctional tRNA methyltransferase Trm5a Sci Rep, 6, 2016
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5HJQ
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![BU of 5hjq by Molmil](/molmil-images/mine/5hjq) | Crystal structure of the TBC domain of Skywalker/TBC1D24 from Drosophila melanogaster in complex with inositol(1,4,5)triphosphate | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, LD10117p | Authors: | Fischer, B, Paesmans, J, Versees, W. | Deposit date: | 2016-01-13 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Skywalker-TBC1D24 has a lipid-binding pocket mutated in epilepsy and required for synaptic function. Nat.Struct.Mol.Biol., 23, 2016
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3THW
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![BU of 3thw by Molmil](/molmil-images/mine/3thw) | Human MutSbeta complexed with an IDL of 4 bases (Loop4) and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA Loop4 hairpin, DNA mismatch repair protein Msh2, ... | Authors: | Yang, W. | Deposit date: | 2011-08-19 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops Nat.Struct.Mol.Biol., 19, 2012
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4NF2
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![BU of 4nf2 by Molmil](/molmil-images/mine/4nf2) | Crystal structure of anabolic ornithine carbamoyltransferase from Bacillus anthracis in complex with carbamoyl phosphate and L-norvaline | Descriptor: | CHLORIDE ION, NORVALINE, Ornithine carbamoyltransferase, ... | Authors: | Shabalin, I.G, Handing, K, Cymborowski, M.T, Stam, J, Winsor, J, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-10-30 | Release date: | 2013-11-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structures and kinetic properties of anabolic ornithine carbamoyltransferase from human pathogens Vibrio vulnificus and Bacillus anthracis To be Published
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4NFT
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![BU of 4nft by Molmil](/molmil-images/mine/4nft) | Crystal structure of human lnkH2B-h2A.Z-Anp32e | Descriptor: | Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z | Authors: | Shan, S, Pan, L, Mao, Z, Wang, W, Sun, J, Dong, Q, Liang, X, Ding, X, Chen, S, Dai, L, Zhang, Z, Zhu, B, Zhou, Z. | Deposit date: | 2013-11-01 | Release date: | 2014-04-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z Cell Res., 24, 2014
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5HTV
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![BU of 5htv by Molmil](/molmil-images/mine/5htv) | |
4NSP
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![BU of 4nsp by Molmil](/molmil-images/mine/4nsp) | Crystal structure of human ENDOV | Descriptor: | Endonuclease V | Authors: | Xie, W, Zhang, Z, Hao, Z. | Deposit date: | 2013-11-28 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human endonuclease V as an inosine-specific ribonuclease. Acta Crystallogr.,Sect.D, 70, 2014
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3T4Z
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![BU of 3t4z by Molmil](/molmil-images/mine/3t4z) | Crystal Structure of NaK2K Channel Y55W Mutant | Descriptor: | POTASSIUM ION, Potassium channel protein | Authors: | Sauer, D.B, Zeng, W, Raghunathan, S, Jiang, Y. | Deposit date: | 2011-07-26 | Release date: | 2011-10-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Protein interactions central to stabilizing the K+ channel selectivity filter in a four-sited configuration for selective K+ permeation. Proc.Natl.Acad.Sci.USA, 108, 2011
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