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3DV4
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BU of 3dv4 by Molmil
Crystal structure of SAG506-01, tetragonal, crystal 1
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
Authors:Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
Deposit date:2008-07-18
Release date:2008-12-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
3DVD
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BU of 3dvd by Molmil
X-ray crystal structure of mutant N62D of human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2008-07-18
Release date:2008-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
4EU1
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BU of 4eu1 by Molmil
Structure of a mitochondrial aspartate aminotransferase from Trypanosoma brucei
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Mitochondrial aspartate aminotransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-25
Release date:2012-05-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of aspartate aminotransferases from Trypanosoma brucei, Leishmania major and Giardia lamblia.
Acta Crystallogr F Struct Biol Commun, 71, 2015
3FVL
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BU of 3fvl by Molmil
Crystallogic studies on the Complex of Carboxypeptidase A with inhibitors using alpha-hydroxy ketone as zinc-binding group
Descriptor: (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid, Carboxypeptidase A1, ZINC ION
Authors:Wang, S.F, Jin, J.-Y, Tian, G.R.
Deposit date:2009-01-16
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Optical 2-benzyl-5-hydroxy4oxopentanoic acids against carboxypeptidase A: Synthesis, kinetic evaluation and X-ray crystallographic study
CHIN.CHEM.LETT., 21, 2010
4ITU
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BU of 4itu by Molmil
Crystal structure of S-2-HYDROXYPROPYL COENZYME M DEHYDROGENASE (S-HPCDH) bound to S-HPC AND NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid, Short-chain dehydrogenase/reductase SDR
Authors:Bakelar, J.W, Johnson, S.J.
Deposit date:2013-01-18
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of S-HPCDH reveal determinants of stereospecificity for R- and S-hydroxypropyl-coenzyme M dehydrogenases.
Arch.Biochem.Biophys., 533, 2013
4AHN
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BU of 4ahn by Molmil
R121H - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
Descriptor: ANGIOGENIN, CHLORIDE ION
Authors:Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
Deposit date:2012-02-06
Release date:2012-10-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.977 Å)
Cite:Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
3KNP
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BU of 3knp by Molmil
Crystal structure of DTD from Plasmodium falciparum
Descriptor: D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-12
Release date:2009-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
4IYD
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BU of 4iyd by Molmil
Insulin glargine crystal structure 1
Descriptor: Insulin A chain, Insulin B chain
Authors:Barba de la Rosa, A.P, Lara-Gonzalez, S, Montero-Moran, G.M, Escobedo-Moratilla, A.
Deposit date:2013-01-28
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Physicochemical and structural analysis of a biosimilar insulin glargine formulation and its reference
to be published
3KFY
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BU of 3kfy by Molmil
Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR
Descriptor: 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine, CALCIUM ION, Dihydrofolate reductase, ...
Authors:Collins, E.J, Lee, A.L, Carroll, M.J, Gromova, A.V, Miller, K.R, Singleton, S.F.
Deposit date:2009-10-28
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Dynamic switching and partial occupancies of a small molecule inhibitor complex of DHFR
To be Published
3FT7
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BU of 3ft7 by Molmil
Crystal structure of an extremely stable dimeric protein from sulfolobus islandicus
Descriptor: GLYCEROL, Uncharacterized protein ORF56
Authors:Neumann, P, Loew, C, Weininger, U, Stubbs, M.T.
Deposit date:2009-01-12
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Stability Analysis of an Extremely Stable Dimeric DNA Binding Protein from Sulfolobus islandicus
Biochemistry, 48, 2009
4IV9
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BU of 4iv9 by Molmil
Structure of the Flavoprotein Tryptophan-2-Monooxygenase
Descriptor: 1,2-ETHANEDIOL, 2-(1H-INDOL-3-YL)ACETAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Gaweska, H.M, Taylor, A.B, Hart, P.J, Fitzpatrick, P.F.
Deposit date:2013-01-22
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structure of the flavoprotein tryptophan 2-monooxygenase, a key enzyme in the formation of galls in plants.
Biochemistry, 52, 2013
4NJ2
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BU of 4nj2 by Molmil
GCN4-p1 triple Val9, 23,30 to Ile mutant
Descriptor: GLYCEROL, General control protein GCN4
Authors:Oshaben, K.M, Horne, W.S.
Deposit date:2013-11-08
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tuning assembly size in Peptide-based supramolecular polymers by modulation of subunit association affinity.
Biomacromolecules, 15, 2014
4J1A
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BU of 4j1a by Molmil
X-ray structure of the adduct between hen egg white lysozyme and AziRu (green crystal)
Descriptor: CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ...
Authors:Vergara, A, Merlino, A.
Deposit date:2013-02-01
Release date:2013-04-03
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-ray Structures and Raman Microscopy Studies of the Adduct between Hen Egg White Lysozyme and AziRu.
Inorg.Chem., 52, 2013
3GCN
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BU of 3gcn by Molmil
Crystal structure of DegS H198P/D320A mutant modified by DFP in complex with OMP peptide (YQF)
Descriptor: Protease degS, YQF peptide
Authors:Sohn, J, Sauer, R.T, Grant, R.A.
Deposit date:2009-02-22
Release date:2009-03-31
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Mechanisms of allosteric activation of the DegS protease by OMP-peptide binding and protein-substrate binding
To be Published
4AJ8
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BU of 4aj8 by Molmil
Crystallographic structure of thioredoxin from Litopenaeus vannamei (partially reduced).
Descriptor: ACETATE ION, GLYCEROL, SULFATE ION, ...
Authors:Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E.
Deposit date:2012-02-16
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei
Acta Crystallogr.,Sect.F, 69, 2013
3FX6
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BU of 3fx6 by Molmil
X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the zinc-binding group
Descriptor: (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid, Carboxypeptidase A1, ZINC ION
Authors:Wang, S.F, Jin, J.Y, Tian, G.R.
Deposit date:2009-01-20
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Characterization of alpha-nitromethyl ketone as a new zinc-binding group based on structural analysis of its complex with carboxypeptidase A
Bioorg.Med.Chem.Lett., 19, 2009
3W53
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BU of 3w53 by Molmil
Crystal structure of psychrophilic beta-glucosidase BglU from Micrococcus antarcticus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase
Authors:Hou, Y.J, Miao, L.L, Li, D.F, Liu, Z.P.
Deposit date:2013-01-18
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical identification of key factors responsible for cold adaptation of Micrococcus antarcticus beta-glucosidase BglU
To be Published
4IRQ
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BU of 4irq by Molmil
Crystal structure of catalytic domain of human beta1,4galactosyltransferase 7 in closed conformation in complex with manganese and UDP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,4-galactosyltransferase 7, MANGANESE (II) ION, ...
Authors:Tsutsui, Y, Ramakrishnan, B, Qasba, P.K.
Deposit date:2013-01-15
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of beta-1,4-galactosyltransferase 7 enzyme reveal conformational changes and substrate binding.
J.Biol.Chem., 288, 2013
3WB5
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BU of 3wb5 by Molmil
Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one
Descriptor: (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
Deposit date:2013-05-13
Release date:2013-10-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
3WAB
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BU of 3wab by Molmil
Carboxypeptidase B in complex with DD2
Descriptor: (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ...
Authors:Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K.
Deposit date:2013-05-01
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
3E3H
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BU of 3e3h by Molmil
Crystal structure of the OP hydrolase mutant from Brevundimonas diminuta
Descriptor: COBALT (II) ION, DIETHYL 4-METHYLBENZYLPHOSPHONATE, Parathion hydrolase
Authors:Li, P, Reeves, T.E, Grimsley, J.K, Wild, J.R.
Deposit date:2008-08-07
Release date:2008-10-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Balancing the stability and the catalytic specificities of OP hydrolases with enhanced V-agent activities.
Protein Eng.Des.Sel., 21, 2008
4JSD
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BU of 4jsd by Molmil
The X-ray crystal structure of a thermophilic cellobiose binding protein bound with laminaribiose
Descriptor: CALCIUM ION, Oligopeptide ABC transporter, periplasmic oligopeptide-binding protein, ...
Authors:Munshi, P, Cuneo, M.J.
Deposit date:2013-03-22
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular details of ligand selectivity determinants in a promiscuous beta-glucan periplasmic binding protein.
Bmc Struct.Biol., 13, 2013
4JZX
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BU of 4jzx by Molmil
Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ...
Authors:Aripirala, S, Gabelli, S, Amzel, L.M.
Deposit date:2013-04-03
Release date:2014-03-05
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates.
Acta Crystallogr.,Sect.D, 70, 2014
4AHF
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BU of 4ahf by Molmil
K17E - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
Descriptor: 1,2-ETHANEDIOL, ANGIOGENIN, SULFATE ION
Authors:Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
Deposit date:2012-02-06
Release date:2012-10-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.115 Å)
Cite:Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
3GYW
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BU of 3gyw by Molmil
Crystal structure of nucleosome assembly protein from Plasmodium falciparum at 2.4 A resolution
Descriptor: Nucleosome assembly protein 1, putative
Authors:Yogavel, M, Gill, J, Sharma, A.
Deposit date:2009-04-06
Release date:2009-05-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iodide-SAD, SIR and SIRAS phasing for structure solution of a nucleosome assembly protein.
Acta Crystallogr.,Sect.D, 65, 2009

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