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1N09
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BU of 1n09 by Molmil
A minimal beta-hairpin peptide scaffold for beta-turn display
Descriptor: bhpW, disulfide cyclized beta-hairpin peptide
Authors:Russell, S.J, Blandl, T, Skelton, N.J, Cochran, A.G.
Deposit date:2002-10-11
Release date:2003-02-04
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair
J.Am.Chem.Soc., 125, 2003
3DGO
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BU of 3dgo by Molmil
A non-biological ATP binding protein with a Tyr-Phe mutation in the ligand binding domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP Binding Protein-DX, CHLORIDE ION, ...
Authors:Simmons, C.R, Allen, J.P, Chaput, J.C.
Deposit date:2008-06-13
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A synthetic protein selected for ligand binding affinity mediates ATP hydrolysis.
Acs Chem.Biol., 4, 2009
8IMJ
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BU of 8imj by Molmil
A'1-A'2, A'3-A'4, B1-B2, C1-C2 cylinder in cyanobacterial phycobilisome from Anthocerotibacter panamensis (Cluster B)
Descriptor: ApcA2, ApcB2, ApcB3, ...
Authors:Wang, C.H, Yang, C.H, Wu, H.Y, Jiang, H.W, Ho, M.C, Ho, M.Y.
Deposit date:2023-03-07
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:A structure of the relict phycobilisome from a thylakoid-free cyanobacterium.
Nat Commun, 14, 2023
5A2C
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BU of 5a2c by Molmil
Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass
Descriptor: ALPHA-AMYLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M.
Deposit date:2015-05-17
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass.
Sci.Rep., 6, 2016
4V2I
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BU of 4v2i by Molmil
Biochemical characterization and structural analysis of a new cold- active and salt tolerant esterase from the marine bacterium Thalassospira sp
Descriptor: ESTERASE/LIPASE, MAGNESIUM ION
Authors:Santi, C.D, Leiros, H.-K.S, Scala, A.D, Pascale, D.D, Altermark, B, Willassen, N.-P.
Deposit date:2014-10-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.686 Å)
Cite:Biochemical Characterization and Structural Analysis of a New Cold-Active and Salt-Tolerant Esterase from the Marine Bacterium Thalassospira Sp.
Extremophiles, 20, 2016
5A2B
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BU of 5a2b by Molmil
Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass
Descriptor: ANOXYBACILLUS ALPHA-AMYLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M.
Deposit date:2015-05-17
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass.
Sci.Rep., 6, 2016
3W21
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BU of 3w21 by Molmil
Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase in complex with alpha-KG from Burkholderia ambifaria AMMD
Descriptor: 2-OXOGLUTARIC ACID, Putative uncharacterized protein, ZINC ION
Authors:Qin, H.M, Miyakawa, T, Jia, M.Z, Nakamura, A, Ohtsuka, J, Xue, Y.L, Kawashima, T, Kasahara, T, Hibi, M, Ogawa, J, Tanokura, M.
Deposit date:2012-11-26
Release date:2013-07-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD
Plos One, 8, 2013
3W20
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BU of 3w20 by Molmil
Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD
Descriptor: Putative uncharacterized protein, ZINC ION
Authors:Qin, H.M, Miyakawa, T, Jia, M.Z, Nakamura, A, Ohtsuka, J, Xue, Y.L, Kawashima, T, Kasahara, T, Hibi, M, Ogawa, J, Tanokura, M.
Deposit date:2012-11-26
Release date:2013-07-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD
Plos One, 8, 2013
4UUI
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BU of 4uui by Molmil
A case study for twinned data analysis: multiple crystal forms of the enzyme N-acetyl-neuraminic lyase
Descriptor: N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID, ...
Authors:Campeotto, I, Phillips, S.E.V, Pearson, A.R.
Deposit date:2014-07-29
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Case Study for Twinned Data Analysis: Multiple Crystal Forms of the Enzyme N-Acetyl-Neuraminic Lyase
To be Published
3MLI
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BU of 3mli by Molmil
2ouf-ds, a disulfide-linked dimer of Helicobacter pylori protein HP0242
Descriptor: CALCIUM ION, Putative uncharacterized protein
Authors:King, N.P, Sawaya, M.R, Jacobitz, A.W, Yeates, T.O.
Deposit date:2010-04-16
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and folding of a designed knotted protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
4GX9
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BU of 4gx9 by Molmil
Crystal structure of a DNA polymerase III alpha-epsilon chimera
Descriptor: DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha
Authors:Li, N, Horan, N, Xu, Z.-Q, Jacques, D, Dixon, N.E, Oakley, A.J.
Deposit date:2012-09-04
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
5HPI
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BU of 5hpi by Molmil
Crystal Structure of the Double Mutant of PobR Transcription Factor Inducer Binding Domain-3-Hydroxy Benzoic Acid complex from Acinetobacter
Descriptor: 1,2-ETHANEDIOL, 3-HYDROXYBENZOIC ACID, SULFATE ION, ...
Authors:Kim, Y, Tesar, C, Jedrejczak, R, Jha, R, Strauss, C.E.M, Joachimiak, A.
Deposit date:2016-01-20
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.963 Å)
Cite:A microbial sensor for organophosphate hydrolysis exploiting an engineered specificity switch in a transcription factor.
Nucleic Acids Res., 44, 2016
4FYN
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BU of 4fyn by Molmil
Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol
Descriptor: 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Villasenor, A.G.
Deposit date:2012-07-05
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.318 Å)
Cite:Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
2G2I
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BU of 2g2i by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-Peptide Conjugate, Abl Tyrosine Kinase
Authors:Levinson, N.M, Kuchment, O.
Deposit date:2006-02-16
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
7DFY
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BU of 7dfy by Molmil
Novel motif for left-handed G-quadruplex formation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2xMotif2, POTASSIUM ION, ...
Authors:Das, P, Winnerdy, F.R, Maity, A, Mechulam, Y, Phan, A.T.
Deposit date:2020-11-10
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A novel minimal motif for left-handed G-quadruplex formation.
Chem.Commun.(Camb.), 57, 2021
2G2H
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BU of 2g2h by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
Descriptor: 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Abl Tyrosine
Authors:Levinson, N.M, Kuchment, O.
Deposit date:2006-02-16
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
2G2F
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BU of 2g2f by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
Descriptor: ATP-Peptide Conjugate, Abl Kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Levinson, N.M, Kuchment, O.
Deposit date:2006-02-15
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
2G1T
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BU of 2g1t by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
Descriptor: ATP-Peptide Conjugate, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase ABL1, ...
Authors:Levinson, N.M, Kuchment, O.
Deposit date:2006-02-14
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
3LE6
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BU of 3le6 by Molmil
The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor
Descriptor: 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2
Authors:Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J.
Deposit date:2010-01-14
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7Z64
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BU of 7z64 by Molmil
A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G.
Deposit date:2022-03-10
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
To Be Published
7Z65
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BU of 7z65 by Molmil
A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
Descriptor: 1,2-ETHANEDIOL, Chitinase, GH18 family
Authors:Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G.
Deposit date:2022-03-11
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.108 Å)
Cite:A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
To Be Published
8FR7
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BU of 8fr7 by Molmil
A hinge glycan regulates spike bending and impacts coronavirus infectivity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pintilie, G, Wilson, E, Chmielewski, D, Schmid, M.F, Jin, J, Chen, M, Singharoy, A, Chiu, W.
Deposit date:2023-01-06
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:A hinge glycan regulates spike bending and impacts coronavirus infectivity
To Be Published
7NE9
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BU of 7ne9 by Molmil
A single sensor controls large variations in zinc quotas in a marine cyanobacterium
Descriptor: ACETATE ION, Ferric uptake regulator family, ZINC ION
Authors:Fulop, V.
Deposit date:2021-02-03
Release date:2022-03-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A single sensor controls large variations in zinc quotas in a marine cyanobacterium.
Nat.Chem.Biol., 18, 2022
6Z68
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BU of 6z68 by Molmil
A novel metagenomic alpha/beta-fold esterase
Descriptor: Acetyl esterase/lipase, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J.
Deposit date:2020-05-28
Release date:2020-12-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021
6Z69
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BU of 6z69 by Molmil
A novel metagenomic alpha/beta-fold esterase
Descriptor: 7-hydroxy-4-methyl-2H-chromen-2-one, Acetyl esterase/lipase, MAGNESIUM ION, ...
Authors:Bollinger, A, Thies, S, Hoeppner, A, Kobus, S, Jaeger, K.-E, Smits, S.H.J.
Deposit date:2020-05-28
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structures of a novel family IV esterase in free and substrate-bound form.
Febs J., 288, 2021

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