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2EAD
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BU of 2ead by Molmil
Crystal structure of 1,2-a-L-fucosidase from Bifidobacterium bifidum in complex with substrate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-fucosidase, CALCIUM ION, ...
Authors:Nagae, M, Tsuchiya, A, Katayama, T, Yamamoto, K, Wakatsuki, S, Kato, R.
Deposit date:2007-01-31
Release date:2007-04-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis on the catalytic reaction mechanism of novel 1,2-alpha-L-fucosidase (AFCA) from Bifidobacterium bifidum
J.Biol.Chem., 282, 2007
3N8W
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BU of 3n8w by Molmil
Crystal Structure of R120Q/Native Cyclooxygenase-1 Heterodimer mutant in complex with Flurbiprofen
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLURBIPROFEN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sidhu, R.S.
Deposit date:2010-05-28
Release date:2010-07-28
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers
Biochemistry, 49, 2010
1AQ0
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BU of 1aq0 by Molmil
BARLEY 1,3-1,4-BETA-GLUCANASE IN MONOCLINIC SPACE GROUP
Descriptor: 1,3-1,4-BETA-GLUCANASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION
Authors:Mueller, J.J, Thomsen, K.K, Heinemann, U.
Deposit date:1997-08-05
Release date:1998-02-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of barley 1,3-1,4-beta-glucanase at 2.0-A resolution and comparison with Bacillus 1,3-1,4-beta-glucanase.
J.Biol.Chem., 273, 1998
5MX2
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BU of 5mx2 by Molmil
Photosystem II depleted of the Mn4CaO5 cluster at 2.55 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Zhang, M, Bommer, M, Chatterjee, R, Hussain, R, Kern, J, Yano, J, Dau, H, Dobbek, H, Zouni, A.
Deposit date:2017-01-20
Release date:2017-08-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Structural insights into the light-driven auto-assembly process of the water-oxidizing Mn4CaO5-cluster in photosystem II.
Elife, 6, 2017
4EVM
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BU of 4evm by Molmil
1.5 Angstrom crystal structure of soluble domain of membrane-anchored thioredoxin family protein from Streptococcus pneumoniae strain Canada MDR_19A
Descriptor: Thioredoxin family protein
Authors:Wawrzak, Z, Stogios, P.J, Minasov, G, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-26
Release date:2012-05-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:1.5 Angstrom crystal structure of soluble domain of membrane-anchored thioredoxin family protein from Streptococcus pneumoniae strain Canada MDR_19A
To be Published
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6VPU
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BU of 6vpu by Molmil
1.90 Angstrom Resolution Crystal Structure Phosphoadenosine Phosphosulfate Reductase (CysH) from Vibrio vulnificus
Descriptor: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Phosphoadenosine phosphosulfate reductase, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Wiersum, G, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-04
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.90 Angstrom Resolution Crystal Structure Phosphoadenosine Phosphosulfate Reductase (CysH) from Vibrio vulnificus
To Be Published
1EDN
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BU of 1edn by Molmil
HUMAN ENDOTHELIN-1
Descriptor: ENDOTHELIN-1
Authors:Wallace, B.A, Janes, R.W.
Deposit date:1994-09-19
Release date:1995-10-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The crystal structure of human endothelin.
Nat.Struct.Biol., 1, 1994
1EPA
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BU of 1epa by Molmil
STRUCTURE OF THE EPIDIDYMAL RETINOIC ACID-BINDING PROTEIN AT 2.1 ANGSTROMS RESOLUTION
Descriptor: EPIDIDYMAL RETINOIC ACID-BINDING PROTEIN
Authors:Newcomer, M.E.
Deposit date:1993-06-15
Release date:1994-07-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the epididymal retinoic acid binding protein at 2.1 A resolution.
Structure, 1, 1993
1EPB
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BU of 1epb by Molmil
STRUCTURE OF THE EPIDIDYMAL RETINOIC ACID-BINDING PROTEIN AT 2.1 ANGSTROMS RESOLUTION
Descriptor: (9cis)-retinoic acid, EPIDIDYMAL RETINOIC ACID-BINDING PROTEIN
Authors:Newcomer, M.E.
Deposit date:1993-06-15
Release date:1994-07-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the epididymal retinoic acid binding protein at 2.1 A resolution.
Structure, 1, 1993
8H6A
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BU of 8h6a by Molmil
Crystal structure of AtHPPD complexed with YH21477
Descriptor: 1-[(2-chlorophenyl)methyl]-3-methyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Yang, G.-F.
Deposit date:2022-10-16
Release date:2023-10-18
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Discovery of Tetrazolamide-benzimidazol-2-ones as Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.
J.Agric.Food Chem., 72, 2024
1ELB
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BU of 1elb by Molmil
Analogous inhibitors of elastase do not always bind analogously
Descriptor: 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide, CALCIUM ION, ELASTASE, ...
Authors:Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D.
Deposit date:1993-12-07
Release date:1994-06-22
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
7SNS
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BU of 7sns by Molmil
1.55A Resolution Structure of NanoLuc Luciferase
Descriptor: ACETATE ION, Oplophorus-luciferin 2-monooxygenase catalytic subunit
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Wood, M.G, Encell, L.P, Wood, K.V.
Deposit date:2021-10-28
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:1.55A Resolution Structure of NanoLuc Luciferase
To be published
6D0G
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BU of 6d0g by Molmil
1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii
Descriptor: BROMIDE ION, MANGANESE (II) ION, Pirin family protein
Authors:Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Kiryukhina, O, Endres, M, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-10
Release date:2018-04-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii.
To be Published
1ELC
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BU of 1elc by Molmil
Analogous inhibitors of elastase do not always bind analogously
Descriptor: 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide, CALCIUM ION, ELASTASE
Authors:Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D.
Deposit date:1993-12-07
Release date:1994-04-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
1ELA
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BU of 1ela by Molmil
Analogous inhibitors of elastase do not always bind analogously
Descriptor: 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide, ACETIC ACID, CALCIUM ION, ...
Authors:Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D.
Deposit date:1993-12-07
Release date:1994-04-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
6FUL
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BU of 6ful by Molmil
Crystal structure of UTX complexed with 5-hydroxy-4-keto-1-methyl-picolinate
Descriptor: 1-methyl-5-oxidanyl-4-oxidanylidene-pyridine-2-carboxylic acid, 2-(2-METHOXYETHOXY)ETHANOL, Lysine-specific demethylase 6A, ...
Authors:Esposito, C, Sledz, P, Caflisch, A.
Deposit date:2018-02-27
Release date:2018-10-10
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:In Silico Identification of JMJD3 Demethylase Inhibitors.
J Chem Inf Model, 58, 2018
7ZW3
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BU of 7zw3 by Molmil
Crystal Structure of human MAO B in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide (inhibitor 19)
Descriptor: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Binda, C, Gottinger, A.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
5MKM
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BU of 5mkm by Molmil
Crystal Structure of Two-Domain Laccase mutant H165F from Streptomyces griseoflavus
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
Authors:Gabdulkhakov, A.G, Tishchenko, T.V.
Deposit date:2016-12-05
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
8X9E
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BU of 8x9e by Molmil
Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low PEG concentration
Descriptor: 1,2-ETHANEDIOL, Carbon monoxide dehydrogenase 2, FE (III) ION, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
6F4P
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BU of 6f4p by Molmil
Human JMJD5 in complex with MN, NOG and RPS6 (129-144) (complex-1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, JmjC domain-containing protein 5, ...
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6AO6
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BU of 6ao6 by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM)
Descriptor: COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ...
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-08-15
Release date:2018-07-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
6HF1
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BU of 6hf1 by Molmil
Mutant oxidoreductase fragment of mouse QSOX1 in complex with an antibody Fab
Descriptor: Fab 316 heavy chain, Fab 316 light chain, Sulfhydryl oxidase 1
Authors:Grossman-Haham, I, Fass, D.
Deposit date:2018-08-21
Release date:2019-04-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:cis-Proline mutants of quiescin sulfhydryl oxidase 1 with altered redox properties undermine extracellular matrix integrity and cell adhesion in fibroblast cultures.
Protein Sci., 28, 2019
5LBE
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BU of 5lbe by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) G294E variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
Descriptor: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6H8P
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BU of 6h8p by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer)
Descriptor: CHLORIDE ION, GLYCEROL, Histone H1.4, ...
Authors:Chowdhury, R, Walport, L.J, Schofield, C.J.
Deposit date:2018-08-03
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018

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数据于2025-10-08公开中

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