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5Z5D
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BU of 5z5d by Molmil
Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08
Descriptor: Beta-xylosidase, CALCIUM ION, GLYCEROL
Authors:Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W.
Deposit date:2018-01-17
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08.
PLoS ONE, 13, 2018
6T6M
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BU of 6t6m by Molmil
Y201W mutant of the orange carotenoid protein from Synechocystis at pH 5.5
Descriptor: GLYCEROL, HISTIDINE, Orange carotenoid-binding protein, ...
Authors:Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G.
Deposit date:2019-10-18
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein.
Commun Biol, 4, 2021
6CDA
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BU of 6cda by Molmil
Crystal structure of L34A CzrA in the Zn(II)bound state
Descriptor: ArsR family transcriptional regulator, CHLORIDE ION, GLYCEROL, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2018-02-08
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System.
J. Am. Chem. Soc., 140, 2018
5ZQK
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BU of 5zqk by Molmil
Dengue Virus Non Structural Protein 5
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:El Sahili, A, Soh, T.S, Schiltz, J, Gharbi-Ayachi, A, Goh, B.C, Seh, C.C, Dedon, P.C, Shi, P.Y, Lim, S.P, Lescar, J.
Deposit date:2018-04-19
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NS5 from Dengue Virus Serotype 2 Can Adopt a Conformation Analogous to That of Its Zika Virus and Japanese Encephalitis Virus Homologues.
J.Virol., 94, 2019
4NGA
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BU of 4nga by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
2A7C
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BU of 2a7c by Molmil
On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength
Descriptor: Elastase 1, GLYCEROL, SULFATE ION, ...
Authors:Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S.
Deposit date:2005-07-05
Release date:2005-07-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength.
Acta Crystallogr.,Sect.D, 61, 2005
4JNK
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BU of 4jnk by Molmil
Lactate Dehydrogenase A in complex with inhibitor compound 22
Descriptor: (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-03-15
Release date:2013-05-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 23, 2013
1ZG8
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BU of 1zg8 by Molmil
Crystal Structure of (R)-2-(3-{[amino(imino)methyl]amino}phenyl)-3-sulfanylpropanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B
Descriptor: (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID, ZINC ION, procarboxypeptidase B
Authors:Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M.
Deposit date:2005-04-20
Release date:2005-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
8SS6
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BU of 8ss6 by Molmil
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK, channel blocker spermidine and antiepileptic drug perampanel (closed state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS9
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Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunit TARP gamma-5 bound to competitive antagonist ZK and antiepileptic drug perampanel (closed state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
5WUA
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BU of 5wua by Molmil
Structure of a Pancreatic ATP-sensitive Potassium Channel
Descriptor: ATP-sensitive inward rectifier potassium channel 11,superfolder GFP, SUR1
Authors:Li, N, Wu, J.-X, Chen, L, Gao, N.
Deposit date:2016-12-16
Release date:2017-01-25
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Structure of a Pancreatic ATP-Sensitive Potassium Channel
Cell, 168, 2017
6WDQ
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BU of 6wdq by Molmil
IL23/IL23R/IL12Rb1 signaling complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1, ...
Authors:Jude, K.M, Ely, L.K, Glassman, C.R, Thomas, C, Spangler, J.B, Lupardus, P.J, Garcia, K.C.
Deposit date:2020-04-01
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for IL-12 and IL-23 receptor sharing reveals a gateway for shaping actions on T versus NK cells.
Cell, 184, 2021
5LGJ
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BU of 5lgj by Molmil
THE CRYSTAL STRUCTURE OF IGE FC MUTANT - P333C
Descriptor: GLYCEROL, Ig epsilon chain C region, SULFATE ION, ...
Authors:Dhaliwal, B, Pang, M.O.Y, Sutton, B.J.
Deposit date:2016-07-07
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:THE CRYSTAL STRUCTURE OF IGE FC MUTANT - P333C
To Be Published
4WJG
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BU of 4wjg by Molmil
Structure of T. brucei haptoglobin-hemoglobin receptor binding to human haptoglobin-hemoglobin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Haptoglobin, ...
Authors:Stoedkilde, K, Torvund-Jensen, M, Moestrup, S.K, Andersen, C.B.F.
Deposit date:2014-09-30
Release date:2014-11-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for trypanosomal haem acquisition and susceptibility to the host innate immune system.
Nat Commun, 5, 2014
3JUU
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BU of 3juu by Molmil
Crystal structure of porphyranase B (PorB) from Zobellia galactanivorans
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, SULFATE ION, ...
Authors:Hehemann, J.H, Correc, G, Barbeyron, T, Michel, G, Czjzek, M.
Deposit date:2009-09-15
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Transfer of carbohydrate-active enzymes from marine bacteria to Japanese gut microbiota.
Nature, 464, 2010
2C6D
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BU of 2c6d by Molmil
Aurora A kinase activated mutant (T287D) in complex with ADPNP
Descriptor: GLYCEROL, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Pauptit, R.A, Pannifer, A.D, Breed, J, McMiken, H.H.J, Rowsell, S, Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
4X0L
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BU of 4x0l by Molmil
Human haptoglobin-haemoglobin complex
Descriptor: CACODYLATE ION, GLYCEROL, Haptoglobin, ...
Authors:Lane-Serff, H, MacGregor, P, Lowe, E.D, Carrington, M, Higgins, M.K.
Deposit date:2014-11-21
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for ligand and innate immunity factor uptake by the trypanosome haptoglobin-haemoglobin receptor.
Elife, 3, 2014
4NG9
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BU of 4ng9 by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4BE2
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BU of 4be2 by Molmil
PFV intasome with inhibitor XZ-259
Descriptor: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND) *AP*CP*A)-3', 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide, ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2012-10-08
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
3IDX
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BU of 3idx by Molmil
Crystal structure of HIV-gp120 core in complex with CD4-binding site antibody b13, space group C222
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab b13 heavy chain, ...
Authors:Chen, L, Kwon, Y.D, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z.Y, Zhang, M.Y, Arthos, J, Burton, D.R, Dimitrov, D.S, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D.
Deposit date:2009-07-22
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120.
Science, 326, 2009
4BDY
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BU of 4bdy by Molmil
PFV intasome with inhibitor XZ-89
Descriptor: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2012-10-08
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
1RM9
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Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
Descriptor: avermectin-sensitive chloride channel GluCl beta/cyan fluorescent protein fusion
Authors:Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
Deposit date:2003-11-27
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
1RMP
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BU of 1rmp by Molmil
Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
Descriptor: SIGF1-GFP fusion protein
Authors:Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
Deposit date:2003-11-28
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
5XDD
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Crystal structure of tertiary complex of TdsC from Paenibacillus sp. A11-2 with FMN and Indole
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, INDOLE, ...
Authors:Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S.
Deposit date:2017-03-28
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity.
J. Biol. Chem., 292, 2017
4BDZ
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PFV intasome with inhibitor XZ-90
Descriptor: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one, ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2012-10-08
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013

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