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PDB: 22202 results

5WE8
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Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
Descriptor: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Kohls, D.
Deposit date:2017-07-07
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
2RMK
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BU of 2rmk by Molmil
Rac1/PRK1 Complex
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1, ...
Authors:Modha, R, Campbell, L.J, Nietlispach, D, Buhecha, H.R, Owen, D, Mott, H.R.
Deposit date:2007-10-25
Release date:2007-11-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Rac1 Polybasic Region Is Required for Interaction with Its Effector PRK1
J.Biol.Chem., 283, 2008
4PV2
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BU of 4pv2 by Molmil
Crystal structure of potassium-dependent plant-type L-asparaginase from Phaseolus vulgaris in complex with K+ and Na+ cations
Descriptor: L-ASPARAGINASE ALPHA SUBUNIT, L-ASPARAGINASE BETA SUBUNIT, NITRATE ION, ...
Authors:Bejger, M, Gilski, M, Imiolczyk, B, Clavel, D, Jaskolski, M.
Deposit date:2014-03-14
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Na+/K+ exchange switches the catalytic apparatus of potassium-dependent plant L-asparaginase
Acta Crystallogr.,Sect.D, 70, 2014
2RLP
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BU of 2rlp by Molmil
NMR structure of CCP modules 1-2 of complement factor H
Descriptor: Complement factor H
Authors:Hocking, H.G, Herbert, A.P, Pangburn, M.K, Kavanagh, D, Barlow, P.N, Uhrin, D.
Deposit date:2007-07-28
Release date:2008-02-19
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure of the N-terminal region of complement factor H and conformational implications of disease-linked sequence variations.
J.Biol.Chem., 283, 2008
3CN7
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BU of 3cn7 by Molmil
Crystal Structure Analysis of the Carboxylesterase PA3859 from Pseudomonas aeruginosa PAO1- MONOCLINIC CRYSTAL FORM
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carboxylesterase
Authors:Pesaresi, A, Lamba, D.
Deposit date:2008-03-25
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Insights into the fatty acid chain length specificity of the carboxylesterase PA3859 from Pseudomonas aeruginosa: A combined structural, biochemical and computational study.
Biochimie, 92, 2010
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
3VK3
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BU of 3vk3 by Molmil
Crystal Structure of L-Methionine gamma-Lyase from Pseudomonas putida C116H Mutant Complexed with L-methionine
Descriptor: METHIONINE, Methionine gamma-lyase
Authors:Fukumoto, M, Kudou, D, Murano, S, Shiba, T, Sato, D, Tamura, T, Harada, S, Inagaki, K.
Deposit date:2011-11-07
Release date:2012-09-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of amino acid residues in the active site of L-methionine gamma-lyase from Pseudomonas putida.
Biosci.Biotechnol.Biochem., 76, 2012
3VK4
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Crystal Structure of L-Methionine gamma-Lyase from Pseudomonas putida C116H Mutant complexed with L-homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Methionine gamma-lyase
Authors:Fukumoto, M, Kudou, D, Murano, S, Shiba, T, Sato, D, Tamura, T, Harada, S, Inagaki, K.
Deposit date:2011-11-07
Release date:2012-09-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:The role of amino acid residues in the active site of L-methionine gamma-lyase from Pseudomonas putida.
Biosci.Biotechnol.Biochem., 76, 2012
3LIP
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BU of 3lip by Molmil
OPEN CONFORMATION OF PSEUDOMONAS CEPACIA LIPASE
Descriptor: CALCIUM ION, TRIACYL-GLYCEROL-HYDROLASE
Authors:Lang, D.A, Schomburg, D.
Deposit date:1997-04-18
Release date:1997-06-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The open conformation of a Pseudomonas lipase.
Structure, 5, 1997
3LQS
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BU of 3lqs by Molmil
Complex Structure of D-Amino Acid Aminotransferase and 4-amino-4,5-dihydro-thiophenecarboxylic acid (ADTA)
Descriptor: 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, ACETIC ACID, D-alanine aminotransferase
Authors:Lepore, B.W, Liu, D, Peng, Y, Fu, M, Yasuda, C, Manning, J.M, Silverman, R.B, Ringe, D.
Deposit date:2010-02-10
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chiral discrimination among aminotransferases: inactivation by 4-amino-4,5-dihydrothiophenecarboxylic acid.
Biochemistry, 49, 2010
5HO7
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BU of 5ho7 by Molmil
DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide, SULFATE ION
Authors:Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U.
Deposit date:2016-01-19
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7N8I
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BU of 7n8i by Molmil
SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 (Local Refinement of the NTD/S2L20)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab Heavy Chain Variable Region, S2L20 Fab Light Chain Variable Region, ...
Authors:McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2021-06-14
Release date:2021-07-14
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
7N8H
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SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-14
Release date:2021-07-14
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
3MML
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BU of 3mml by Molmil
Allophanate Hydrolase Complex from Mycobacterium smegmatis, Msmeg0435-Msmeg0436
Descriptor: Allophanate hydrolase subunit 1, Allophanate hydrolase subunit 2, CHLORIDE ION
Authors:Kaufmann, M, Chernishof, I, Shin, A, Germano, D, Sawaya, M.R, Waldo, G.S, Arbing, M.A, Perry, J, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-04-20
Release date:2010-04-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Allphanate Hydrolase Complex from M. smegmatis, Msmeg0435-Msmeg0436
To be Published
5IM5
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BU of 5im5 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I53-40
Descriptor: Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase
Authors:Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
Deposit date:2016-03-05
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.699 Å)
Cite:Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
4V96
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BU of 4v96 by Molmil
The structure of a 1.8 MDa viral genome injection device suggests alternative infection mechanisms
Descriptor: BPP, ORF46, ORF48
Authors:Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V, van Sinderen, D, Cambillau, C.
Deposit date:2012-02-01
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
4V2C
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BU of 4v2c by Molmil
mouse FLRT2 LRR domain in complex with rat Unc5D Ig1 domain
Descriptor: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2, PROTEIN UNC5D
Authors:Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
Deposit date:2014-10-08
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4 Å)
Cite:Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
4UUR
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BU of 4uur by Molmil
Cold-adapted truncated hemoglobin from the Antarctic marine bacterium Pseudoalteromonas haloplanktis TAC125
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE HEMOGLOBIN-LIKE OXYGEN-BINDING PROTEIN
Authors:Pesce, A, Giordano, D, Riccio, A, Nardini, M, Caldelli, E, Howes, B, Bustamante, J.P, Boechi, L, Estrin, D, di Prisco, G, Smulevich, G, Verde, C, Bolognesi, M.
Deposit date:2014-07-31
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Flexibility of the Heme Cavity in the Cold-Adapted Truncated Hemoglobin from the Antarctic Marine Bacterium Pseudoalteromonas Haloplanktis Tac125.
FEBS J., 282, 2015
4UXW
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BU of 4uxw by Molmil
Structure of delta4-DgkA-apo in 9.9 MAG
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, DIACYLGLYCEROL KINASE, ...
Authors:Li, D, Pye, V.E, Aragao, D, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UUQ
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Crystal structure of human mono-glyceride lipase in complex with SAR127303
Descriptor: 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE
Authors:Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J.
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
4V2E
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BU of 4v2e by Molmil
FLRT3 LRR domain
Descriptor: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 3
Authors:Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
Deposit date:2014-10-08
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development.
Neuron, 84, 2014
4WFS
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BU of 4wfs by Molmil
Crystal Structure of tRNA-dihydrouridine(20) synthase catalytic domain
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, SULFATE ION, ...
Authors:Bou-Nader, C, Pecqueur, L, Kamah, A, Bregeon, D, Golinelli-Pimpaneau, B, Guimaraes, B.G, Fontecave, M, Hamdane, D.
Deposit date:2014-09-17
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:An extended dsRBD is required for post-transcriptional modification in human tRNAs.
Nucleic Acids Res., 43, 2015
1ELG
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BU of 1elg by Molmil
NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH
Descriptor: (TERT-BUTYLOXYCARBONYL)-ALANYL-ALANYL-AMINE, CALCIUM ION, PORCINE PANCREATIC ELASTASE
Authors:Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U.
Deposit date:1995-03-13
Release date:1995-07-10
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH.
Biochemistry, 34, 1995
1EVL
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BU of 1evl by Molmil
CRYSTAL STRUCTURE OF A TRUNCATED FORM OF THREONYL-TRNA SYNTHETASE WITH A THREONYL ADENYLATE ANALOG
Descriptor: 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, THREONYL-TRNA SYNTHETASE, ZINC ION
Authors:Sankaranarayanan, R, Dock-Bregeon, A.C, Rees, B, Moras, D.
Deposit date:2000-04-20
Release date:2000-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Zinc ion mediated amino acid discrimination by threonyl-tRNA synthetase.
Nat.Struct.Biol., 7, 2000
7ZBE
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BU of 7zbe by Molmil
Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SwissFEL)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V.
Deposit date:2022-03-23
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrafast structural changes direct the first molecular events of vision.
Nature, 615, 2023

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