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8CLF
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BU of 8clf by Molmil
Z-SolQ2Br bound to tubulin (T2R-TTL) complex
分子名称: 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wranik, M, Bertrand, Q, Kepa, M, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLA
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BU of 8cla by Molmil
Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex
分子名称: 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol, CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free electron lasers
To Be Published
8CL7
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BU of 8cl7 by Molmil
Krokinobacter eikastus rhodopsin 2 (KR2) in dark state
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Bertrand, Q, Wranik, M, Kepa, M.W, Weinert, T, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL8
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BU of 8cl8 by Molmil
Krokinobacter eikastus rhodopsin 2 (KR2) extrapolated map 1us after light activation
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL5
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BU of 8cl5 by Molmil
Lysozyme in matrix of lipidic cubic phase of monoolein (LCP)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ...
著者Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL6
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BU of 8cl6 by Molmil
Lysozyme in matrix of hydroxyethylcellulose (HEC)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ...
著者Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8FDY
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BU of 8fdy by Molmil
Human GAR transformylase in complex with GAR substrate and AGF132 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-05
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
8FDZ
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BU of 8fdz by Molmil
Human GAR transformylase in complex with GAR substrate and AGF302 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-05
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
8FE0
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BU of 8fe0 by Molmil
Human GAR transformylase in complex with GAR substrate and AGF305 inhibitor
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase
著者Wong-Roushar, J, Dann III, C.E.
登録日2022-12-05
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
8FDX
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BU of 8fdx by Molmil
AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Nyman, M.C, Wong-Roushar, J, Dann III, C.E.
登録日2022-12-05
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
2N0X
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BU of 2n0x by Molmil
Three dimensional structure of EPI-X4, a human albumin-derived peptide that regulates innate immunity through the CXCR4/CXCL12 chemotactic axis and antagonizes HIV-1 entry
分子名称: Serum albumin
著者Perez-Castells, J, Canales, A, Jimenez-Barbero, J, Gimenez-Gallego, G.
登録日2015-03-18
公開日2015-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Discovery and characterization of an endogenous CXCR4 antagonist.
Cell Rep, 11, 2015
8T4P
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BU of 8t4p by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor
分子名称: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-06-09
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8T4O
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BU of 8t4o by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate
分子名称: 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-06-09
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8TLC
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BU of 8tlc by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and tri-glutamate AGF347 inhibitor
分子名称: N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid, Serine hydroxymethyltransferase, mitochondrial
著者Katinas, J.M, Dann III, C.E.
登録日2023-07-26
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
1VLB
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BU of 1vlb by Molmil
STRUCTURE REFINEMENT OF THE ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS AT 1.28 A
分子名称: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, CHLORIDE ION, ...
著者Rebelo, J.M, Dias, J.M, Huber, R, Moura, J.J.G, Romao, M.J.
登録日2004-07-20
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structure refinement of the aldehyde oxidoreductase from Desulfovibrio gigas (MOP) at 1.28 A
J.Biol.Inorg.Chem., 6, 2001
8API
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BU of 8api by Molmil
THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-1 ANTITRYPSIN (CHAIN A), ...
著者Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R.
登録日1988-09-08
公開日1990-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
7API
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BU of 7api by Molmil
THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTITRYPSIN, ...
著者Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R.
登録日1988-09-08
公開日1990-10-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
1SAV
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BU of 1sav by Molmil
HUMAN ANNEXIN V WITH PROLINE SUBSTITUTION BY THIOPROLINE
分子名称: ANNEXIN V, CALCIUM ION
著者Medrano, F.J, Minks, C, Budisa, N, Huber, R.
登録日1997-11-24
公開日1998-05-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins.
J.Mol.Biol., 223, 1992
6SOK
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BU of 6sok by Molmil
Engineered streptavidin variant (VTAR) in complex with the Twin-Strep-tag peptide
分子名称: AMINO GROUP, Streptavidin, Twin-Strep-tag peptide
著者Skerra, A, Eichinger, A.
登録日2019-08-29
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6SOS
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BU of 6sos by Molmil
Engineered streptavidin variant (ENAGY) in complex with the Twin-Strep-tag peptide
分子名称: Streptavidin, Twin-Strep-tag peptide
著者Skerra, A, Eichinger, A.
登録日2019-08-29
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6TIP
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BU of 6tip by Molmil
Engineered streptavidin variant (YNAFM) in complex with the Strep-tag II peptide
分子名称: AMINO GROUP, Strep-tag II peptide, Streptavidin
著者Skerra, A, Eichinger, A.
登録日2019-11-22
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
1HAK
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BU of 1hak by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN PLACENTAL ANNEXIN V COMPLEXED WITH K-201 AS A CALCIUM CHANNEL ACTIVITY INHIBITOR
分子名称: 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE, ANNEXIN V
著者Ago, H, Inagaki, E, Miyano, M.
登録日1997-12-10
公開日1999-02-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of annexin V with its ligand K-201 as a calcium channel activity inhibitor.
J.Mol.Biol., 274, 1997
1ZIS
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BU of 1zis by Molmil
Recombinant Lumazine synthase (hexagonal form)
分子名称: 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Lopez-Jaramillo, F.J.
登録日2005-04-27
公開日2006-10-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of recombinant Lumazine synthase (hexagonal form)
To be Published
1HVF
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BU of 1hvf by Molmil
STRUCTURAL AND ELECTROPHYSIOLOGICAL ANALYSIS OF ANNEXIN V MUTANTS. MUTAGENESIS OF HUMAN ANNEXIN V, AN IN VITRO VOLTAGE-GATED CALCIUM CHANNEL, PROVIDES INFORMATION ABOUT THE STRUCTURAL FEATURES OF THE ION PATHWAY, THE VOLTAGE SENSOR AND THE ION SELECTIVITY FILTER
分子名称: ANNEXIN V, CALCIUM ION, SULFATE ION
著者Burger, A, Huber, R.
登録日1994-06-29
公開日1995-03-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and electrophysiological analysis of annexin V mutants. Mutagenesis of human annexin V, an in vitro voltage-gated calcium channel, provides information about the structural features of the ion pathway, the voltage sensor and the ion selectivity filter
J.Mol.Biol., 237, 1994
1HVD
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BU of 1hvd by Molmil
STRUCTURAL AND ELECTROPHYSIOLOGICAL ANALYSIS OF ANNEXIN V MUTANTS. MUTAGENESIS OF HUMAN ANNEXIN V, AN IN VITRO VOLTAGE-GATED CALCIUM CHANNEL, PROVIDES INFORMATION ABOUT THE STRUCTURAL FEATURES OF THE ION PATHWAY, THE VOLTAGE SENSOR AND THE ION SELECTIVITY FILTER
分子名称: ANNEXIN V, CALCIUM ION
著者Burger, A, Huber, R.
登録日1994-06-29
公開日1995-03-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and electrophysiological analysis of annexin V mutants. Mutagenesis of human annexin V, an in vitro voltage-gated calcium channel, provides information about the structural features of the ion pathway, the voltage sensor and the ion selectivity filter
J.Mol.Biol., 237, 1994

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