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6UCJ
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proIAPP in DPC Micelles - Two-Conformer Ensemble Refinement, Open Conformer
分子名称: Islet amyloid polypeptide
著者DeLisle, C.F, Malooley, A.L, Banerjee, I, Lorieau, J.L.
登録日2019-09-16
公開日2020-02-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Pro-islet amyloid polypeptide in micelles contains a helical prohormone segment.
Febs J., 287, 2020
4WK9
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Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
著者Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
登録日2014-10-02
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.102 Å)
主引用文献New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
4WKH
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Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
著者Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
登録日2014-10-02
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
4WAK
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BU of 4wak by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A
分子名称: BICARBONATE ION, Carbonic anhydrase 2, POTASSIUM ION, ...
著者Hoffmann, K.M, Rowlett, R.S.
登録日2014-08-29
公開日2014-12-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
4WAM
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H. influenzae beta-carbonic anhydrase variant W39V/G41A/P48S/A49P
分子名称: PHOSPHATE ION, ZINC ION, beta-carbonic anhydrase
著者Rowlett, R.S, Hoffman, K.M.
登録日2014-08-29
公開日2014-12-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
4WU0
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BU of 4wu0 by Molmil
Structural Analysis of C. acetobutylicum ATCC 824 Glycoside Hydrolase From Family 105
分子名称: Similar to yteR (Bacilus subtilis)
著者Germane, K.L, Servinsky, M.D, Gerlach, E.S, Sund, C.J, Hurley, M.M.
登録日2014-10-30
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analysis of Clostridium acetobutylicum ATCC 824 glycoside hydrolase from CAZy family GH105.
Acta Crystallogr.,Sect.F, 71, 2015
4WKF
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Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (2.5mM) at 1.10 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
著者Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
登録日2014-10-02
公開日2015-07-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
6RUQ
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Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution
分子名称: (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S.
登録日2019-05-28
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.65 Å)
主引用文献Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2.
Febs J., 288, 2021
4WEP
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Apo YehZ from Escerichia coli
分子名称: Putative osmoprotectant uptake system substrate-binding protein OsmF
著者Kimber, M.S, Lang, S, Mendoza, K, Wood, J.M.
登録日2014-09-10
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献YehZYXW of Escherichia coli Is a Low-Affinity, Non-Osmoregulatory Betaine-Specific ABC Transporter.
Biochemistry, 54, 2015
4WJX
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Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution
分子名称: Chitotriosidase-1, L(+)-TARTARIC ACID
著者Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
登録日2014-10-01
公開日2015-07-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Acta Crystallogr.,Sect.D, 71, 2015
4WEV
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BU of 4wev by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and sulindac
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Crespo, I, Porte, S, Pares, X, Farres, J, Podjarny, A.
登録日2014-09-11
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.453 Å)
主引用文献Structural analysis of sulindac as an inhibitor of aldose reductase and AKR1B10.
Chem.Biol.Interact., 234, 2015
4WKA
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BU of 4wka by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution
分子名称: Chitotriosidase-1, L(+)-TARTARIC ACID
著者Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
登録日2014-10-02
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
8PKC
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BU of 8pkc by Molmil
Structure of Api m1 in complex with the AM1-4 nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM1-4 nanobody, Phospholipase A2
著者Aagaard, J.B, Gandini, R, Spillner, E, Miehe, M.
登録日2023-06-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Nanobody-based IgG formats as blocking antibodies of the major honeybee venom allergen Api m 1
To be published
6XSJ
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BU of 6xsj by Molmil
X-ray structure of a monoclinic form of alpha amylase from Aspergillus at 1.4 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者McPherson, A.
登録日2020-07-15
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of two novel crystal forms of Aspergillus oryzae alpha amylase (taka-amylase).
J.Biosci.Bioeng., 131, 2021
6X3I
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BU of 6x3i by Molmil
NNAS Fc mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-mannopyranose
著者Wei, R, Zhou, Y.F.
登録日2020-05-21
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.268 Å)
主引用文献Engineered Fc-glycosylation switch to eliminate antibody effector function.
Mabs, 12, 2020
7PU1
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BU of 7pu1 by Molmil
High resolution X-ray structure of Thermoascus aurantiacus LPMO
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
著者Banerjee, S, Frandsen, K.E.H, Singh, R.K, Bjerrum, M.J, Lo Leggio, L.
登録日2021-09-28
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Biomolecules, 12, 2022
7YGG
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BU of 7ygg by Molmil
Crystal structure of human CD47 in complex with engineered SIRPa.D1(N80A)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leukocyte surface antigen CD47, ...
著者Yu, J, Tian, W.
登録日2022-07-11
公開日2022-10-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Crystal Structure of Human CD47 in Complex with Engineered SIRP alpha.D1(N80A).
Molecules, 27, 2022
6XSV
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BU of 6xsv by Molmil
X-ray structure of a tetragonal crystal form of alpha amylase from Aspergillus oryzae (Tala-Amylase) at 1.65 A resolution
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
著者McPherson, A.
登録日2020-07-16
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of two novel crystal forms of Aspergillus oryzae alpha amylase (taka-amylase).
J.Biosci.Bioeng., 131, 2021
8I5P
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BU of 8i5p by Molmil
Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5Q
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Crystal structure of TxGH116 D593A acid/base mutant from Thermoanaerobacterium xylanolyticum with laminaribiose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8OWF
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Clostridium perfringens chitinase CP4_3455 with chitosan
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ...
著者Bloch, Y, Savvides, S.N.
登録日2023-04-27
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Clostridium perfringens chitinase CP4_3455 with chitosan
To Be Published
8I5T
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Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with cellobiose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5U
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Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with laminaribiose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
8I5S
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Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside
分子名称: 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2023-01-26
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation.
Acs Catalysis, 13, 2023
5JPN
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Structure of human complement C4 rebuilt using iMDFF
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ...
著者Croll, T.I, Andersen, G.R.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016

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