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5SJE
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Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one
分子名称: 3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one, CHLORIDE ION, GLYCEROL, ...
著者Joseph, C, Benz, J, Flohr, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
登録日2022-02-01
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a human phosphodiesterase 10 complex
To be published
1JOU
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Crystal Structure of Native S195A Thrombin with an Unoccupied Active Site
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, GLYCEROL, ...
著者Huntington, J.A, Esmon, C.T.
登録日2001-07-31
公開日2001-08-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The molecular basis of thrombin allostery revealed by a 1.8A structure of the slow form
Structure, 11, 2003
8EPH
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Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA
分子名称: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ...
著者Kolyadko, V.N, Krishnaswamy, S.
登録日2022-10-05
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
8EPC
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Crystal structure of human coagulation factor IXa (S195A), apo-form
分子名称: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain
著者Kolyadko, V.N, Krishnaswamy, S.
登録日2022-10-05
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
8EPK
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Complex of anticoagulant RNA aptamer and human coagulation factor IXa (S195A)
分子名称: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ...
著者Kolyadko, V.N, Krishnaswamy, S.
登録日2022-10-05
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
6AA7
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BU of 6aa7 by Molmil
Fluorescent protein from Acropora digitifera
分子名称: Fluorescent protein
著者Kim, S.E, Hwang, K.Y, Nam, K.H.
登録日2018-07-17
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Spectral and structural analysis of a red fluorescent protein from Acropora digitifera.
Protein Sci., 28, 2019
6YBJ
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BU of 6ybj by Molmil
Structure of MBP-Mcl-1 in complex with compound 3e
分子名称: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Dokurno, P, Surgenor, A.E, Murray, J.B.
登録日2020-03-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
2BUW
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BU of 2buw by Molmil
Crystal Structure of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R457S in Complex with 4-Hydroxybenzoate
分子名称: FE (III) ION, P-HYDROXYBENZOIC ACID, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-20
公開日2006-10-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Studies of Intradiol Dioxygenases.
Phd Thesis, 2001
8FWA
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BU of 8fwa by Molmil
Phycocyanin structure from a modular droplet injector for serial femtosecond crystallography
分子名称: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ...
著者Botha, S, Doppler, D.L, Sonker, M, Egatz-Gomez, A, Grieco, A, Zaare, S, Jernigan, R, Meza-Aguilar, J.D, Rabbani, M.T, Manna, A, Alvarez, R, Karpos, K, Cruz Villarreal, J, Nelson, G, Ketawala, G.K, Pey, A.L, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Nazari, R, Sierra, R, Hunter, M.S, Batyuk, A, Kupitz, C.J, Sublett, R.E, Lisova, S, Mariani, V, Boutet, S, Fromme, R, Grant, T.D, Fromme, P, Kirian, R.A, Martin-Garcia, J.M, Ros, A.
登録日2023-01-20
公開日2023-06-28
最終更新日2023-07-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
8F8O
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BU of 8f8o by Molmil
Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, CITRIC ACID, SUCCINIC ACID, ...
著者Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Pshenychnyi, S, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-11-22
公開日2022-11-30
最終更新日2023-02-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids
To Be Published
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
6YO2
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BU of 6yo2 by Molmil
Meta-Carborane propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
5B80
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BU of 5b80 by Molmil
Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Cu2+
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, COPPER (II) ION, Uncharacterized protein TM_0416
著者Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H.
登録日2016-06-10
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
6Y10
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BU of 6y10 by Molmil
X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126H
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase
著者Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D.
登録日2020-02-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
5EQZ
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BU of 5eqz by Molmil
Crystal structure of a Rev protein from Borrelia burgdorferi at 1.80 A resolution
分子名称: Rev protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-11-13
公開日2015-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a Rev protein from Borrelia burgdorferi at 1.80 A resolution
to be published
8FBH
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BU of 8fbh by Molmil
Crystal structure of NSD1 Mutant-T1927A
分子名称: Histone-lysine N-methyltransferase, H3 lysine-36 specific, S-ADENOSYLMETHIONINE, ...
著者Providokhina, K, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2022-11-29
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal structure of NSD1
To Be Published
1JWP
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BU of 1jwp by Molmil
Structure of M182T mutant of TEM-1 beta-lactamase
分子名称: BETA-LACTAMASE TEM, PHOSPHATE ION
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2001-09-04
公開日2002-06-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
2BUQ
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BU of 2buq by Molmil
Crystal Structure Of Wild-Type Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 in Complex with Catechol
分子名称: CATECHOL, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-17
公開日2006-09-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biophysical Analyses of Designed and Selected Mutants of Protocatechuate 3,4-Dioxygenase
Annu.Rev.Microbiol., 58, 2004
6YF5
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Lamin A 17-70 coil1A dimer stabilized by C-terminal capping
分子名称: Prelamin-A/C,Microtubule-associated protein RP/EB family member 1
著者Lilina, A.V, Stalmans, G, Strelkov, S.V.
登録日2020-03-26
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Addressing the Molecular Mechanism of Longitudinal Lamin Assembly Using Chimeric Fusions.
Cells, 9, 2020
2BUU
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BU of 2buu by Molmil
Crystal Structure Of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R457S in complex with 4-Nitrocatechol
分子名称: 4-NITROCATECHOL, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-17
公開日2006-10-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Studies of Intradiol Dioxygenases.
Phd Thesis, 2001
1K24
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BU of 1k24 by Molmil
Crystal Structure of the OpcA Outer Membrane Adhesin/Invasin from Neisseria meningitidis
分子名称: PENTAETHYLENE GLYCOL, ZINC ION, outer membrane protein
著者Prince, S.M, Achtman, M, Derrick, J.P.
登録日2001-09-26
公開日2002-03-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure of the OpcA integral membrane adhesin from Neisseria meningitidis.
Proc.Natl.Acad.Sci.USA, 99, 2002
2BUT
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BU of 2but by Molmil
Crystal Structure Of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R457S - APO
分子名称: FE (III) ION, HYDROXIDE ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-17
公開日2006-09-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Biophysical Analyses of Designed and Selected Mutants of Protocatechuate 3,4-Dioxygenase
Annu.Rev.Microbiol., 58, 2004
4WX1
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Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A determined from a crystal soaked with UDP-Galactopyranose
分子名称: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
著者Qureshi, I.A, Chaudhary, R.
登録日2014-11-13
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
2BUY
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BU of 2buy by Molmil
Crystal Structure of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R133H in Complex with Catechol
分子名称: CATECHOL, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-20
公開日2006-10-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Studies of Intradiol Dioxygenases.
Phd Thesis, 2001
2BV0
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Crystal Structure of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R133H in Complex with Protocatechuate.
分子名称: 3,4-DIHYDROXYBENZOIC ACID, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-20
公開日2006-10-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Studies of Intradiol Dioxygenases.
Phd Thesis, 2001

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