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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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BU of 8i5u by Molmil
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
4WK9
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BU of 4wk9 by Molmil
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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BU of 4wkh by Molmil
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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BU of 4wam by Molmil
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
8I5S
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BU of 8i5s by Molmil
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
8PKC
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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
5JTW
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BU of 5jtw by Molmil
Crystal structure of complement C4b re-refined using iMDFF
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A
著者Croll, T.I, Andersen, G.R.
登録日2016-05-09
公開日2016-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 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
6R35
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BU of 6r35 by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PAO1 in complex with lewis x tetrasaccharide
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
著者Lepsik, M, Sommer, R, Kuhaudomlarp, S, Lelimousin, M, Varrot, A, Titz, A, Imberty, A.
登録日2019-03-19
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Induction of rare conformation of oligosaccharide by binding to calcium-dependent bacterial lectin: X-ray crystallography and modelling study.
Eur.J.Med.Chem., 177, 2019
12E8
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BU of 12e8 by Molmil
2E8 FAB FRAGMENT
分子名称: IGG1-KAPPA 2E8 FAB (HEAVY CHAIN), IGG1-KAPPA 2E8 FAB (LIGHT CHAIN)
著者Rupp, B, Trakhanov, S.
登録日1998-03-14
公開日1998-08-05
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a monoclonal 2E8 Fab antibody fragment specific for the low-density lipoprotein-receptor binding region of apolipoprotein E refined at 1.9 A.
Acta Crystallogr.,Sect.D, null, 1999
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
1BHC
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BU of 1bhc by Molmil
BOVINE PANCREATIC TRYPSIN INHIBITOR CRYSTALLIZED FROM THIOCYANATE
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, THIOCYANATE ION
著者Hamiaux, C, Prange, T.
登録日1998-06-05
公開日1998-09-16
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The decameric structure of bovine pancreatic trypsin inhibitor (BPTI) crystallized from thiocyanate at 2.7 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1BDK
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BU of 1bdk by Molmil
AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN AQUEOUS MICELLAR SOLUTIONS
分子名称: bradykinin antagonist B-9340
著者Sejbal, J, Kotovych, G, Cann, J.R, Stewart, J.M, Gera, L.
登録日1995-07-28
公開日1995-12-07
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献An NMR, CD, molecular dynamics, and fluorometric study of the conformation of the bradykinin antagonist B-9340 in water and in aqueous micellar solutions.
J.Med.Chem., 39, 1996
6O4W
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BU of 6o4w by Molmil
Binary complex of native hAChE with Donepezil
分子名称: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
分子名称: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O4X
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BU of 6o4x by Molmil
Binary complex of native hAChE with 9-aminoacridine
分子名称: 9-AMINOACRIDINE, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O50
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BU of 6o50 by Molmil
Binary complex of native hAChE with BW284c51
分子名称: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
1AM5
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BU of 1am5 by Molmil
THE CRYSTAL STRUCTURE AND PROPOSED AMINO ACID SEQUENCE OF A PEPSIN FROM ATLANTIC COD (GADUS MORHUA)
分子名称: PEPSIN
著者Karlsen, S, Hough, E, Olsen, R.L.
登録日1997-06-23
公開日1997-12-24
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure and proposed amino-acid sequence of a pepsin from atlantic cod (Gadus morhua).
Acta Crystallogr.,Sect.D, 54, 1998
5JPN
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BU of 5jpn by Molmil
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2020-07-29
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
6NMU
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BU of 6nmu by Molmil
Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
4WKF
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BU of 4wkf by Molmil
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
6NMV
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BU of 6nmv by Molmil
Non-Blocking Fab 218 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 218 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 218 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMR
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BU of 6nmr by Molmil
Blocking Fab 119 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 119 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 119 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMT
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Non-Blocking Fab 3 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 3 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 3 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019

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件を2024-09-18に公開中

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