4A1I
 
 | | ykud from B.subtilis | | Descriptor: | CADMIUM ION, CHLORIDE ION, PUTATIVE L, ... | | Authors: | Blaise, M, Fuglsang Midtgaard, S, Roi Midtgaard, S, Boesen, T, Thirup, S. | | Deposit date: | 2011-09-15 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structures of Three New Crystal Forms of the Ykud L,D-Transpeptidase from B. Subtilis.
To be Published
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4A36
 | | Structure of duck RIG-I helicase domain bound to 19-mer dsRNA and ATP transition state analogue | | Descriptor: | 5'-R(*GP*CP*AP*UP*GP*CP*GP*AP*CP*CP*UP*CP*UP*GP *UP*UP*UP*GP*A)-3', 5'-R(*UP*CP*AP*AP*AP*CP*AP*GP*AP*GP*GP*UP*CP*GP *CP*AP*UP*GP*C)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kowalinski, E, Lunardi, T, McCarthy, A.A, Cusack, S. | | Deposit date: | 2011-09-30 | | Release date: | 2011-10-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural Basis for the Activation of Innate Immune Pattern Recognition Receptor Rig-I by Viral RNA.
Cell(Cambridge,Mass.), 147, 2011
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4A8W
 | | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | | Descriptor: | 5'-D(*TP*TP*CP*GP*CP*GP*TP*AP*AP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-07-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation.
J.Virol., 86, 2012
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4A4B
 | | Structure of modified phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex | | Descriptor: | CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ... | | Authors: | Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T. | | Deposit date: | 2011-10-08 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.789 Å) | | Cite: | Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl
Nat.Struct.Mol.Biol., 19, 2012
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4A5A
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5CVZ
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5DT7
 | | Crystal structure of the GH1 beta-glucosidase from Exiguobacterium antarcticum B7 in space group C2221 | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Beta-glucosidase, GLYCEROL, ... | | Authors: | Zanphorlin, L.M, Giuseppe, P.O, Tonoli, C.C.C, Murakami, M.T. | | Deposit date: | 2015-09-17 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Oligomerization as a strategy for cold adaptation: Structure and dynamics of the GH1 beta-glucosidase from Exiguobacterium antarcticum B7.
Sci Rep, 6, 2016
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5V9P
 | | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | | Deposit date: | 2017-03-23 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5AFY
 | | Thrombin in complex with 3-chloro-benzamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CHLORO-BENZAMIDE, DIMETHYL SULFOXIDE, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-01-27 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
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5E8I
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4ZT5
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine (Chem 1655) | | Descriptor: | (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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4A1V
 | | Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E | | Descriptor: | CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ... | | Authors: | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | | Deposit date: | 2011-09-20 | | Release date: | 2012-09-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
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4ALI
 | | Crystal structure of S. aureus FabI in complex with NADP and triclosan (P1) | | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | | Deposit date: | 2012-03-04 | | Release date: | 2012-05-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality
Structure, 20, 2012
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5DYI
 | | Structure of p97 N-D1 wild-type in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Tang, W.K, Xia, D. | | Deposit date: | 2015-09-24 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | Role of the D1-D2 Linker of Human VCP/p97 in the Asymmetry and ATPase Activity of the D1-domain.
Sci Rep, 6, 2016
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5A88
 | | Crystal structure of the riboflavin kinase module of FAD synthetase from Corynebacterium ammoniagenes in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, GLYCEROL, ... | | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Medina, M. | | Deposit date: | 2015-07-13 | | Release date: | 2015-12-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural Insights Into the Synthesis of Fmn in Prokaryotic Organisms.
Acta Crystallogr.,Sect.D, 71, 2015
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5AGN
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-hydroxyacetimidamido)pentanoic acid | | Descriptor: | (S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-02-02 | | Release date: | 2015-04-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
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5UJ7
 | | Structure of the active form of human Origin Recognition Complex ATPase motor module, complex subunitS 1, 4, 5 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ... | | Authors: | Tocilj, A, Elkayam, E, On, K.F, Joshua-Tor, L. | | Deposit date: | 2017-01-17 | | Release date: | 2017-02-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.394 Å) | | Cite: | Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
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1YG4
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1YC6
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5E3A
 | | Structure of human DPP3 in complex with opioid peptide leu-enkephalin | | Descriptor: | Dipeptidyl peptidase 3, Leu-enkephalin, MAGNESIUM ION, ... | | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | | Deposit date: | 2015-10-02 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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2AOP
 | | SULFITE REDUCTASE: REDUCED WITH CRII EDTA, SIROHEME FEII, [4FE-4S] +1, PHOSPHATE BOUND | | Descriptor: | IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Crane, B.R, Getzoff, E.D. | | Deposit date: | 1997-07-09 | | Release date: | 1998-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange.
Biochemistry, 36, 1997
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5A7P
 | | Crystal structure of human JMJD2A in complex with compound 36 | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | Deposit date: | 2015-07-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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3UPL
 | | Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway. | | Descriptor: | GLYCEROL, MAGNESIUM ION, Oxidoreductase | | Authors: | Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M. | | Deposit date: | 2011-11-18 | | Release date: | 2012-03-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis.
J.Biol.Chem., 287, 2012
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5AEA
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5UO6
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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