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8FCB
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BU of 8fcb by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ...
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
3A35
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BU of 3a35 by Molmil
Crystal structure of LumP complexed with riboflavin
Descriptor: Lumazine protein, RIBOFLAVIN
Authors:Sato, Y.
Deposit date:2009-06-09
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.421 Å)
Cite:Crystal structures of the lumazine protein from Photobacterium kishitanii in complexes with the authentic chromophore, 6,7-dimethyl-8-(1'-D-ribityl) lumazine and its analogues, riboflavin and FMN, at high resolution
J.Bacteriol., 192, 2009
2JKU
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BU of 2jku by Molmil
Crystal structure of the N-terminal region of the biotin acceptor domain of human propionyl-CoA carboxylase
Descriptor: PROPIONYL-COA CARBOXYLASE ALPHA CHAIN, MITOCHONDRIAL, TETRAETHYLENE GLYCOL
Authors:Healy, S, Yue, W.W, Kochan, G, Pilka, E.S, Murray, J.W, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Gravel, R.A, Oppermann, U.
Deposit date:2008-08-30
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural impact of human and Escherichia coli biotin carboxyl carrier proteins on biotin attachment.
Biochemistry, 49, 2010
1BM3
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BU of 1bm3 by Molmil
IMMUNOGLOBULIN OPG2 FAB-PEPTIDE COMPLEX
Descriptor: IMMUNOGLOBULIN OPG2 FAB, CONSTANT DOMAIN, VARIABLE DOMAIN
Authors:Kodandapani, R, Veerapandian, L, Ni, C.Z, Chiou, C.-K, Whital, R, Kunicki, T.J, Ely, K.R.
Deposit date:1999-04-15
Release date:1999-04-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational change in an anti-integrin antibody: structure of OPG2 Fab bound to a beta 3 peptide.
Biochem.Biophys.Res.Commun., 251, 1998
5V49
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BU of 5v49 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1917)
Descriptor: GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2017-03-08
Release date:2017-07-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Optimization of a binding fragment targeting the "enlarged methionine pocket" leads to potent Trypanosoma brucei methionyl-tRNA synthetase inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4RRI
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BU of 4rri by Molmil
K116M mutant of N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA
Descriptor: 3'-deoxy-3'-(L-threonylamino)adenosine, MAGNESIUM ION, Probable threonine--tRNA ligase 2
Authors:Ahmad, S, Muthukumar, S, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
1SVG
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BU of 1svg by Molmil
Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4
Descriptor: CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ALPHA FORM, N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE, ...
Authors:Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-03-29
Release date:2005-03-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
4RRF
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BU of 4rrf by Molmil
Editing domain of threonyl-tRNA synthetase from Methanococcus jannaschii with L-Ser3AA
Descriptor: CHLORIDE ION, MAGNESIUM ION, SERINE-3'-AMINOADENOSINE, ...
Authors:Ahmad, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
1ONW
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BU of 1onw by Molmil
Crystal structure of Isoaspartyl Dipeptidase from E. coli
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Isoaspartyl dipeptidase, ...
Authors:Thoden, J.B, Marti-Arbona, R, Raushel, F.M, Holden, H.M.
Deposit date:2003-03-02
Release date:2003-05-06
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High Resolution X-ray Structure of Isoaspartyl Dipeptidase from Escherichia coli
Biochemistry, 42, 2003
1BJ7
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BU of 1bj7 by Molmil
BOVINE LIPOCALIN ALLERGEN BOS D 2
Descriptor: D 2
Authors:Rouvinen, J.
Deposit date:1998-07-02
Release date:1999-05-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing the molecular basis of allergy. three-dimensional structure of the bovine lipocalin allergen Bos d 2.
J.Biol.Chem., 274, 1999
3IWB
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BU of 3iwb by Molmil
T. maritima AdoMetDC in processed form
Descriptor: S-adenosylmethionine decarboxylase
Authors:Bale, S, Kavita, B, Ealick, S.E.
Deposit date:2009-09-02
Release date:2010-02-09
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Complexes of Thermotoga maritimaS-adenosylmethionine decarboxylase provide insights into substrate specificity.
Acta Crystallogr.,Sect.D, 66, 2010
4RRA
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BU of 4rra by Molmil
N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA (snapshot 1)
Descriptor: 3'-deoxy-3'-(L-threonylamino)adenosine, MAGNESIUM ION, Probable threonine--tRNA ligase 2
Authors:Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
2RDT
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BU of 2rdt by Molmil
Crystal Structure of Human Glycolate Oxidase (GO) in Complex with CDST
Descriptor: 5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Murray, M.S, Holmes, R.P, Lowther, W.T.
Deposit date:2007-09-25
Release date:2008-02-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Active Site and Loop 4 Movements within Human Glycolate Oxidase: Implications for Substrate Specificity and Drug Design.
Biochemistry, 47, 2008
6B5Q
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BU of 6b5q by Molmil
DCN1 bound to 38
Descriptor: DCN1-like protein 1, Peptidomimetic Inhibitors DI-591, TRIETHYLENE GLYCOL
Authors:Stuckey, J.
Deposit date:2017-09-29
Release date:2018-02-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction.
J. Med. Chem., 61, 2018
5O87
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BU of 5o87 by Molmil
Crystal structure of wild type Aplysia californica AChBP in complex with nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P.
Deposit date:2017-06-12
Release date:2018-06-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
2QTT
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BU of 2qtt by Molmil
Crystal Structure of Arabidopsis thaliana 5'-Methylthioadenosine nucleosidase in complex with Formycin A
Descriptor: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, 1,2-ETHANEDIOL, 5'-methylthioadenosine nucleosidase, ...
Authors:Siu, K.K.W, Howell, P.L.
Deposit date:2007-08-02
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases.
J.Mol.Biol., 378, 2008
4RRM
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BU of 4rrm by Molmil
E129A mutant of N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA
Descriptor: 3'-deoxy-3'-(L-threonylamino)adenosine, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Ahmad, S, Muthukumar, S, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
4RRJ
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BU of 4rrj by Molmil
Y115A mutant of N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA
Descriptor: Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE
Authors:Ahmad, S, Muthukumar, S, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
2YV1
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BU of 2yv1 by Molmil
Crystal Structure of Succinyl-CoA Synthetase Alpha Chain from Methanocaldococcus jannaschii DSM 2661
Descriptor: Succinyl-CoA ligase [ADP-forming] subunit alpha
Authors:Niwa, H, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-06
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Succinyl-CoA Synthetase Alpha Chain from Methanocaldococcus jannaschii DSM 2661
To be Published
4GVZ
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BU of 4gvz by Molmil
Crystal structure of arginine kinase in complex with D-arginine, MgADP, and nitrate.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, D-ARGININE, ...
Authors:Clark, S.A, Davulcu, O, Chapman, M.S.
Deposit date:2012-08-31
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
2QEO
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BU of 2qeo by Molmil
Crystal Structure of Anopheles gambiae D7R4-norepinephrine complex
Descriptor: D7R4 Protein, L-NOREPINEPHRINE
Authors:Andersen, J.F, Mans, B.J, Calvo, E, Ribeiro, J.M.
Deposit date:2007-06-26
Release date:2007-10-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:The Crystal Structure of D7r4, a Salivary Biogenic Amine-binding Protein from the Malaria Mosquito Anopheles gambiae
J.Biol.Chem., 282, 2007
1SVE
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BU of 1sve by Molmil
Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1
Descriptor: (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER, N-OCTANOYL-N-METHYLGLUCAMINE, SODIUM ION, ...
Authors:Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-03-29
Release date:2005-03-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
4GW2
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BU of 4gw2 by Molmil
Crystal structure of arginine kinase in complex with L-ornithine, MgADP, and nitrate.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, L-ornithine, ...
Authors:Clark, S.A, Davulcu, O, Chapman, M.S.
Deposit date:2012-08-31
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.157 Å)
Cite:Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
1QXK
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BU of 1qxk by Molmil
Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
Descriptor: 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER, Protein-tyrosine phosphatase, non-receptor type 1
Authors:Xin, Z, Liu, G, Abad-Zapatero, C, Pei, Z, Szczepankiewick, B.G, Li, X, Zhang, T, Hutchins, C.W, Hajduk, P.J, Ballaron, S.J, Stashko, M.A, Lubben, T.H, Trevillyan, J.M, Jirousek, M.R.
Deposit date:2003-09-08
Release date:2003-10-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a Monoacid-Based, Cell Permeable, Selective Inhibitor of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
6KV3
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BU of 6kv3 by Molmil
Crystal Structure of NAD+ Synthetase from Staphylococcus aureus
Descriptor: NH(3)-dependent NAD(+) synthetase
Authors:Nasrin, S.K, Sandeep, S.K.
Deposit date:2019-09-03
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic and molecular dynamics simulation analysis of NAD synthetase from methicillin resistant Staphylococcus aureus (MRSA).
Int.J.Biol.Macromol., 165, 2020

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