6L70
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![BU of 6l70 by Molmil](/molmil-images/mine/6l70) | Complex structure of PEDV 3CLpro with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, PEDV main protease | Authors: | Ye, G, Peng, G.Q. | Deposit date: | 2019-10-30 | Release date: | 2020-04-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural Basis for Inhibiting Porcine Epidemic Diarrhea Virus Replication with the 3C-Like Protease Inhibitor GC376. Viruses, 12, 2020
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6LJ6
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![BU of 6lj6 by Molmil](/molmil-images/mine/6lj6) | |
1EX3
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![BU of 1ex3 by Molmil](/molmil-images/mine/1ex3) | |
1ED9
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![BU of 1ed9 by Molmil](/molmil-images/mine/1ed9) | STRUCTURE OF E. COLI ALKALINE PHOSPHATASE WITHOUT THE INORGANIC PHOSPHATE AT 1.75A RESOLUTION | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Stec, B, Holtz, K.M, Kantrowitz, E.R. | Deposit date: | 2000-01-27 | Release date: | 2000-09-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A revised mechanism for the alkaline phosphatase reaction involving three metal ions. J.Mol.Biol., 299, 2000
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6LAF
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![BU of 6laf by Molmil](/molmil-images/mine/6laf) | Crystal structure of the core domain of Amuc_1100 from Akkermansia muciniphila | Descriptor: | Amuc_1100, SULFATE ION | Authors: | Wang, J, Xiang, R, Zhang, M, Wang, M. | Deposit date: | 2019-11-12 | Release date: | 2020-08-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | The variable oligomeric state of Amuc_1100 from Akkermansia muciniphila. J.Struct.Biol., 212, 2020
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6LBN
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![BU of 6lbn by Molmil](/molmil-images/mine/6lbn) | Structure of SIL1-bound FEM1C | Descriptor: | Protein fem-1 homolog C,Peptide from Nucleotide exchange factor SIL1 | Authors: | Chen, X, Liao, S, Xu, C. | Deposit date: | 2019-11-14 | Release date: | 2020-10-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.899 Å) | Cite: | Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase. Nat.Chem.Biol., 17, 2021
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1EF2
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![BU of 1ef2 by Molmil](/molmil-images/mine/1ef2) | CRYSTAL STRUCTURE OF MANGANESE-SUBSTITUTED KLEBSIELLA AEROGENES UREASE | Descriptor: | MANGANESE (II) ION, UREASE ALPHA SUBUNIT, UREASE BETA SUBUNIT, ... | Authors: | Yamaguchi, K, Cosper, N.J, Stalhandske, C, Scott, R.A, Pearson, M.A, Karplus, P.A, Hausinger, R.P. | Deposit date: | 2000-02-05 | Release date: | 2000-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Characterization of metal-substituted Klebsiella aerogenes urease. J.Biol.Inorg.Chem., 4, 1999
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1E4S
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![BU of 1e4s by Molmil](/molmil-images/mine/1e4s) | Solution structure of the human defensin hBD-1 | Descriptor: | BETA-DEFENSIN 1 | Authors: | Bauer, F, Schweimer, K, Kluver, E, Adermann, K, Forssmann, W.G, Roesch, P, Sticht, H. | Deposit date: | 2000-07-12 | Release date: | 2001-07-12 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Structure Determination of Human and Murine Beta-Defensins Reveals Structural Conservation in the Absence of Significant Sequence Similarity Protein Sci., 10, 2001
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6LCX
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![BU of 6lcx by Molmil](/molmil-images/mine/6lcx) | Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Light | Descriptor: | BUT-2-ENEDIAL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-11-20 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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4UGP
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![BU of 4ugp by Molmil](/molmil-images/mine/4ugp) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N',N'-(((2R)-3-aminopropane-1,2-diyl)bis(oxymethanediylbenzene-3,1- diyl))dithiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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6LF0
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![BU of 6lf0 by Molmil](/molmil-images/mine/6lf0) | Structure of FEM1C | Descriptor: | Protein fem-1 homolog C, SULFATE ION | Authors: | Chen, X, Liao, S, Xu, C. | Deposit date: | 2019-11-27 | Release date: | 2020-10-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase. Nat.Chem.Biol., 17, 2021
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6LEY
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![BU of 6ley by Molmil](/molmil-images/mine/6ley) | Structure of Sil1G bound FEM1C | Descriptor: | Protein fem-1 homolog C,Peptide from Nucleotide exchange factor SIL1 | Authors: | Chen, X, Liao, S, Xu, C. | Deposit date: | 2019-11-27 | Release date: | 2020-10-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase. Nat.Chem.Biol., 17, 2021
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4UIB
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![BU of 4uib by Molmil](/molmil-images/mine/4uib) | Crystal structure of 3p in complex with tafCPB | Descriptor: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ... | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | Deposit date: | 2015-03-27 | Release date: | 2015-06-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58, 2015
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4UKD
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![BU of 4ukd by Molmil](/molmil-images/mine/4ukd) | UMP/CMP KINASE FROM SLIME MOLD COMPLEXED WITH ADP, UDP, BERYLLIUM FLUORIDE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM DIFLUORIDE, MAGNESIUM ION, ... | Authors: | Schlichting, I, Reinstein, J. | Deposit date: | 1997-05-20 | Release date: | 1998-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of active conformations of UMP kinase from Dictyostelium discoideum suggest phosphoryl transfer is associative. Biochemistry, 36, 1997
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6LGV
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![BU of 6lgv by Molmil](/molmil-images/mine/6lgv) | Crystal structure of a cysteine-pair mutant (P10C-S291C) of a bacterial bile acid transporter in an inward-facing state complexed with citrate | Descriptor: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Transporter, ... | Authors: | Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X. | Deposit date: | 2019-12-06 | Release date: | 2020-12-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.847 Å) | Cite: | Substrate binding in the bile acid transporter ASBT Yf from Yersinia frederiksenii. Acta Crystallogr D Struct Biol, 77, 2021
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4UF6
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![BU of 4uf6 by Molmil](/molmil-images/mine/4uf6) | UCH-L5 in complex with ubiquitin-propargyl bound to an activating fragment of INO80G | Descriptor: | NUCLEAR FACTOR RELATED TO KAPPA-B-BINDING PROTEIN, POLYUBIQUITIN-B, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE ISOZYME L5 | Authors: | Sahtoe, D.D, Van Dijk, W.J, El Oualid, F, Ekkebus, R, Ovaa, H, Sixma, T.K. | Deposit date: | 2014-12-23 | Release date: | 2015-03-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.69 Å) | Cite: | Mechanism of Uch-L5 Activation and Inhibition by Deubad Domains in Rpn13 and Ino80G. Mol.Cell, 57, 2015
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4UDY
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![BU of 4udy by Molmil](/molmil-images/mine/4udy) | NCO- bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution | Descriptor: | CARBON MONOXIDE DEHYDROGENASE 2, FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, ... | Authors: | Fesseler, J, Jeoung, J.-H, Dobbek, H. | Deposit date: | 2014-12-12 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | How the [Nife4 S4 ] Cluster of Co Dehydrogenase Activates Co2 and Nco(.) Angew.Chem.Int.Ed.Engl., 54, 2015
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4UIA
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![BU of 4uia by Molmil](/molmil-images/mine/4uia) | Crystal structure of 3a in complex with tafCPB | Descriptor: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | Deposit date: | 2015-03-27 | Release date: | 2015-06-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58, 2015
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4UHI
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![BU of 4uhi by Molmil](/molmil-images/mine/4uhi) | HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP | Descriptor: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. | Deposit date: | 2015-03-24 | Release date: | 2016-06-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design. J.Lipid Res., 57, 2016
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6LDC
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![BU of 6ldc by Molmil](/molmil-images/mine/6ldc) | Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-nonyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | Deposit date: | 2019-11-20 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.181 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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4UH0
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![BU of 4uh0 by Molmil](/molmil-images/mine/4uh0) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(6-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-2- yl)-N1,N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N'-[6-[2-(6-AZANYL-4-METHYL-PYRIDIN-2-YL)ETHYL]PYRIDIN-2-YL]-N,N'-DIMETHYL-ETHANE-1,2-DIAMINE, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.039 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UI6
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![BU of 4ui6 by Molmil](/molmil-images/mine/4ui6) | Crystal structure of human tankyrase 2 in complex with TA-47 | Descriptor: | 8-METHOXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2015-03-27 | Release date: | 2016-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases. Eur.J.Med.Chem., 118, 2016
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4UM2
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![BU of 4um2 by Molmil](/molmil-images/mine/4um2) | Crystal structure of the TPR domain of SMG6 | Descriptor: | GLYCEROL, TELOMERASE-BINDING PROTEIN EST1A | Authors: | Chakrabarti, S, Bonneau, F, Schuessler, S, Eppinger, E, Conti, E. | Deposit date: | 2014-05-14 | Release date: | 2014-07-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phospho-Dependent and Phospho-Independent Interactions of the Helicase Upf1 with the Nmd Factors Smg5-Smg7 and Smg6. Nucleic Acids Res., 42, 2014
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4UIW
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![BU of 4uiw by Molmil](/molmil-images/mine/4uiw) | BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-ethyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 9, N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide | Authors: | Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. | Deposit date: | 2015-04-03 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
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6LJ8
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![BU of 6lj8 by Molmil](/molmil-images/mine/6lj8) | Crystal structure of NDM-1 in complex with D-captopril derivative wss04134 | Descriptor: | 1,2-ETHANEDIOL, 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid, Metallo-beta-lactamase type 2, ... | Authors: | Zhang, H, Ma, G. | Deposit date: | 2019-12-13 | Release date: | 2020-12-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
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