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5XR8
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BU of 5xr8 by Molmil
Crystal structure of the human CB1 in complex with agonist AM841
Descriptor: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, CHOLESTEROL, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ...
Authors:Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
Deposit date:2017-06-07
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures of agonist-bound human cannabinoid receptor CB1.
Nature, 547, 2017
5Y41
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BU of 5y41 by Molmil
Crystal Structure of LIGAND-BOUND NURR1-LBD
Descriptor: (13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sreekanth, R, Lescar, J, Yoon, H.S.
Deposit date:2017-07-31
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:PGE1 and PGA1 bind to Nurr1 and activate its transcriptional function.
Nat.Chem.Biol., 2020
3KFK
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BU of 3kfk by Molmil
Crystal structures of a group II chaperonin from Methanococcus maripaludis
Descriptor: Chaperonin, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D.
Deposit date:2009-10-27
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (6.003 Å)
Cite:Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle.
J.Biol.Chem., 285, 2010
7RFP
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BU of 7rfp by Molmil
Mouse GITR (mGITR) with DTA-1 Fab fragment
Descriptor: DTA-1 (heavy chain), DTA-1 (light chain), Tumor necrosis factor receptor superfamily member 18,Enhanced green fluorescent protein
Authors:Meyerson, J.R, He, C.
Deposit date:2021-07-14
Release date:2022-03-09
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Therapeutic antibody activation of the glucocorticoid-induced TNF receptor by a clustering mechanism.
Sci Adv, 8, 2022
6RUR
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BU of 6rur by Molmil
Structure of the SCIN stabilized C3bBb convertase bound to properdin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, ...
Authors:Pedersen, D.V, Gadeberg, T.A.F, Andersen, G.R.
Deposit date:2019-05-29
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
6HIR
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BU of 6hir by Molmil
SOLUTION STRUCTURE OF RECOMBINANT HIRUDIN AND THE LYS-47 (RIGHT ARROW) GLU MUTANT. A NUCLEAR MAGNETIC RESONANCE AND HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING STUDY
Descriptor: HIRUDIN VARIANT-1
Authors:Clore, G.M, Gronenborn, A.M.
Deposit date:1990-01-09
Release date:1990-01-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of recombinant hirudin and the Lys-47----Glu mutant: a nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing study.
Biochemistry, 28, 1989
5JI3
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BU of 5ji3 by Molmil
HslUV complex
Descriptor: 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV
Authors:Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V.
Deposit date:2016-04-21
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
4FWW
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BU of 4fww by Molmil
Crystal structure of the Sema-PSI extracellular domains of human RON receptor tyrosine kinase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chao, K.L, Herzberg, O.
Deposit date:2012-07-02
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the Sema-PSI Extracellular Domain of Human RON Receptor Tyrosine Kinase.
Plos One, 7, 2012
3D22
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BU of 3d22 by Molmil
Crystal structure of a poplar thioredoxin h mutant, PtTrxh4C61S
Descriptor: PHOSPHATE ION, Thioredoxin H-type
Authors:Koh, C.S, Didierjean, C, Corbier, C, Rouhier, N, Jacquot, J.P, Gelhaye, E.
Deposit date:2008-05-07
Release date:2008-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An Atypical Catalytic Mechanism Involving Three Cysteines of Thioredoxin.
J.Biol.Chem., 283, 2008
3D29
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BU of 3d29 by Molmil
Proteasome Inhibition by Fellutamide B
Descriptor: (3R)-3-HYDROXYDODECANOIC ACID, Fellutamide B, PRE10 isoform 1, ...
Authors:Groll, M, Hines, J, Fahnestock, M, Crews, M.C.
Deposit date:2008-05-07
Release date:2008-06-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Proteasome Inhibition by Fellutamide B Induces Nerve Growth Factor Synthesis
Chem.Biol., 15, 2008
3D2R
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BU of 3d2r by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 4 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Kato, M, Wynn, R.M, Chuang, L.C, Tso, S.-C, Li, J, Chuang, D.T.
Deposit date:2008-05-08
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Pyruvate Dehydrogenase Kinase-4 Structures Reveal a Metastable Open Conformation Fostering Robust Core-free Basal Activity.
J.Biol.Chem., 283, 2008
3D4A
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BU of 3d4a by Molmil
Crystal structure of ribonuclease Sa2 with 3'-GMP obtained by ligand diffusion
Descriptor: GUANOSINE-3'-MONOPHOSPHATE, Ribonuclease, SULFATE ION
Authors:Bauerova-Hlinkova, V, Sevcik, J.
Deposit date:2008-05-14
Release date:2009-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of RNase Sa2 complexes with mononucleotides - new aspects of catalytic reaction and substrate recognition
Febs J., 276, 2009
3CLH
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BU of 3clh by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS)from Helicobacter pylori
Descriptor: 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Wang, W.C, Liu, J.S, Cheng, W.C, Wang, H.J, Chen, Y.C.
Deposit date:2008-03-19
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based inhibitor discovery of Helicobacter pylori dehydroquinate synthase.
Biochem.Biophys.Res.Commun., 373, 2008
3CP4
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BU of 3cp4 by Molmil
CRYSTAL STRUCTURE OF THE CYTOCHROME P450-CAM ACTIVE SITE MUTANT THR252ALA
Descriptor: ADAMANTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1991-06-04
Release date:1993-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the cytochrome P-450CAM active site mutant Thr252Ala.
Biochemistry, 30, 1991
3CWW
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BU of 3cww by Molmil
Crystal Structure of IDE-bradykinin complex
Descriptor: 1,4-DIETHYLENE DIOXIDE, ACETATE ION, Insulin-degrading enzyme, ...
Authors:Malito, E, Tang, W.J.
Deposit date:2008-04-23
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Molecular Bases for the Recognition of Short Peptide Substrates and Cysteine-Directed Modifications of Human Insulin-Degrading Enzyme
Biochemistry, 47, 2008
3CSC
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BU of 3csc by Molmil
STRUCTURE OF TERNARY COMPLEXES OF CITRATE SYNTHASE WITH D-AND L-MALATE: MECHANISTIC IMPLICATIONS
Descriptor: (2S)-2-hydroxybutanedioic acid, ACETYL COENZYME *A, CITRATE SYNTHASE
Authors:Karpusas, M, Holland, D, Remington, S.J.
Deposit date:1990-05-07
Release date:1991-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Biochemistry, 30, 1991
3D54
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BU of 3d54 by Molmil
Structure of PurLQS from Thermotoga maritima
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Formylglycinamide ribonucleotide amidotransferase, Phosphoribosylformylglycinamidine synthase 1, ...
Authors:Ealick, S.E, Morar, M.
Deposit date:2008-05-15
Release date:2008-07-22
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Formylglycinamide ribonucleotide amidotransferase from Thermotoga maritima: structural insights into complex formation.
Biochemistry, 47, 2008
3D5R
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BU of 3d5r by Molmil
Crystal Structure of Efb-C (N138A) / C3d Complex
Descriptor: Complement C3, Fibrinogen-binding protein
Authors:Geisbrecht, B.V.
Deposit date:2008-05-16
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
3CKS
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BU of 3cks by Molmil
Urate oxidase complexed with 8-azaxanthine under 4.0 MPa oxygen pressure
Descriptor: 8-AZAXANTHINE, OXYGEN MOLECULE, SODIUM ION, ...
Authors:Colloc'h, N, Gabison, L, Chiadmi, M, Abraini, J.H, Prange, T.
Deposit date:2008-03-17
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Oxygen pressurized X-ray crystallography: probing the dioxygen binding site in cofactorless urate oxidase and implications for its catalytic mechanism.
Biophys.J., 95, 2008
3CNZ
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BU of 3cnz by Molmil
Structural dynamics of the microtubule binding and regulatory elements in the kinesin-like calmodulin binding protein
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin heavy chain-like protein, MAGNESIUM ION
Authors:Vinogradova, M.V, Malanina, G.G, Reddy, V, Reddy, A.S.N, Fletterick, R.J.
Deposit date:2008-03-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural dynamics of the microtubule binding and regulatory elements in the kinesin-like calmodulin binding protein.
J.Struct.Biol., 163, 2008
3CWE
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BU of 3cwe by Molmil
PTP1B in complex with a phosphonic acid inhibitor
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1, [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid
Authors:Scapin, G, Han, Y, Kennedy, B.P.
Deposit date:2008-04-21
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
3CWN
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BU of 3cwn by Molmil
Escherichia coli transaldolase b mutant f178y
Descriptor: SULFATE ION, Transaldolase B
Authors:Sandalova, T, Schneider, G, Samland, A.
Deposit date:2008-04-22
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Replacement of a Phenylalanine by a Tyrosine in the Active Site Confers Fructose-6-phosphate Aldolase Activity to the Transaldolase of Escherichia coli and Human Origin.
J.Biol.Chem., 283, 2008
3CUS
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BU of 3cus by Molmil
Structure of a double ILE/PHE mutant of NI-FE hydrogenase refined at 2.2 angstrom resolution
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A.
Deposit date:2008-04-17
Release date:2008-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Experimental approaches to kinetics of gas diffusion in hydrogenase
Proc.Natl.Acad.Sci.Usa, 105, 2008
3CZK
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BU of 3czk by Molmil
Crystal Structure Analysis of Sucrose hydrolase(SUH) E322Q-sucrose complex
Descriptor: Sucrose hydrolase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Kim, M.I, Rhee, S.
Deposit date:2008-04-29
Release date:2008-07-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and mutagenesis of sucrose hydrolase from Xanthomonas axonopodis pv. glycines: insight into the exclusively hydrolytic amylosucrase fold.
J.Mol.Biol., 380, 2008
3CL9
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BU of 3cl9 by Molmil
Structure of bifunctional TcDHFR-TS in complex with MTX
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS), ...
Authors:Schormann, N, Senkovich, O, Chattopadhyay, D.
Deposit date:2008-03-18
Release date:2009-01-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008

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