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2PBN
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Crystal structure of the human tyrosine receptor phosphate gamma
分子名称: Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
著者Bonanno, J.B, Freeman, J, Bain, K.T, Reyes, C, Pelletier, L, Jin, X, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-28
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
6GOZ
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Structure of mEos4b in the green long-lived dark state
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者De Zitter, E, Adam, V, Byrdin, M, Van Meervelt, L, Dedecker, P, Bourgeois, D.
登録日2018-06-04
公開日2019-11-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Mechanistic Investigations of Green mEos4b Reveal a Dynamic Long-Lived Dark State.
J.Am.Chem.Soc., 2020
2P7E
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Vanadate at the Active Site of a Small Ribozyme Suggests a Role for Water in Transition-State Stabilization
分子名称: 3' substrate strand, octameric fragment, 5' substrate strand, ...
著者Torelli, A.T, Krucinska, J, Wedekind, J.E.
登録日2007-03-20
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A comparison of vanadate to a 2'-5' linkage at the active site of a small ribozyme suggests a role for water in transition-state stabilization
Rna, 13, 2007
2P7U
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The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777
分子名称: Cysteine protease, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
著者Brinen, L.S, Marion, R.
登録日2007-03-20
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
6H5T
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Intersectin SH3A short isoform
分子名称: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, ACETATE ION, CHLORIDE ION, ...
著者Driller, J.H, Gerth, F, Freund, C, Wahl, M.C, Loll, B.
登録日2018-07-25
公開日2019-02-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Exon Inclusion Modulates Conformational Plasticity and Autoinhibition of the Intersectin 1 SH3A Domain.
Structure, 27, 2019
2Q7U
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Crystal Structure of the F plasmid TraI Relaxase Domain with the Scissile Thymidine Base and Imidodiphosphate
分子名称: IMIDO DIPHOSPHATE, MAGNESIUM ION, Protein traI, ...
著者Lujan, S.A, Redinbo, M.R.
登録日2007-06-07
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Disrupting antibiotic resistance propagation by inhibiting the conjugative DNA relaxase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
5OL3
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BU of 5ol3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp117
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-07-26
公開日2018-08-29
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
2OQI
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BU of 2oqi by Molmil
Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine
分子名称: (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP)
著者Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D, Backes, B.J, Lai, C, Lubben, T.H, Ballaron, S.J, Beno, D.W, Kempf-Grote, A.J, Sham, H.L, Trevillyan, J.M.
登録日2007-01-31
公開日2007-04-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
5OTG
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BU of 5otg by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp190
分子名称: [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-08-21
公開日2018-09-05
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp190
To be published
4BNE
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BU of 4bne by Molmil
Pacsin2 Interacts with Membranes and Actin-Filaments
分子名称: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 2, SULFATE ION, TRIETHYLENE GLYCOL
著者Kostan, J, Salzer, U, Orlova, A, Toeroe, I, Hodnik, V, Schreiner, C, Merilainen, J, Nikki, M, Virtanen, I, Lehto, V.-P, Anderluh, G, Egelman, E.H, Djinovic-Carugo, K.
登録日2013-05-15
公開日2014-05-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Direct Interaction of Actin Filaments with F-Bar Protein Pacsin2.
Embo Rep., 15, 2014
2OZ2
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BU of 2oz2 by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)
分子名称: Cruzipain, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE, SULFATE ION
著者Rickert, M, Brinen, L.
登録日2007-02-23
公開日2008-02-26
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
2OMX
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Crystal structure of InlA S192N G194S+S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PNN
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Crystal Structure of the Ankyrin Repeat Domain of Trpv1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily V member 1
著者Jin, X, Gaudet, R.
登録日2007-04-24
公開日2007-07-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Ankyrin Repeats of TRPV1 Bind Multiple Ligands and Modulate Channel Sensitivity.
Neuron, 54, 2007
2P53
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BU of 2p53 by Molmil
Crystal structure of N-acetyl-D-glucosamine-6-phosphate deacetylase D273N mutant complexed with N-acetyl phosphonamidate-d-glucosamine-6-phosphate
分子名称: 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose, N-acetylglucosamine-6-phosphate deacetylase, ZINC ION
著者Fedorov, A.A, Fedorov, E.V, Hall, R.S, Raushel, F.M, Almo, S.C.
登録日2007-03-14
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Diversity within the Mononuclear and Binuclear Active Sites of N-Acetyl-d-glucosamine-6-phosphate Deacetylase.
Biochemistry, 46, 2007
2OMZ
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Crystal structure of InlA Y369A/hEC1 complex
分子名称: Epithelial-cadherin, Internalin-A
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2P8S
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BU of 2p8s by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor
分子名称: (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T.
登録日2007-03-23
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin
Bioorg.Med.Chem.Lett., 17, 2007
2OMT
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Crystal structure of InlA G194S+S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin; E-Cad/CTF1, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2N8V
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BU of 2n8v by Molmil
An NMR/SAXS structure of the PKI domain of the honeybee dicistrovirus, Israeli acute paralysis virus (IAPV) IRES
分子名称: RNA (70-MER)
著者Au, H.H, Cornilescu, G, Mouzakis, K.D, Burke, J.E, Ren, Q, Lee, S, Butcher, S.E, Jan, E.
登録日2015-10-27
公開日2015-11-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Global shape mimicry of tRNA within a viral internal ribosome entry site mediates translational reading frame selection.
Proc.Natl.Acad.Sci.USA, 112, 2015
2NMQ
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Simultaneous determination of protein structure and dynamics using rdcs
分子名称: Immunoglobulin G-binding protein G precursor
著者Blackledge, M, Bouvignies, G, Brueschweiler, R, Markwick, P.
登録日2006-10-23
公開日2006-11-21
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Simultaneous determination of protein backbone structure and dynamics from residual dipolar couplings
J.Am.Chem.Soc., 128, 2006
2NLR
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STREPTOMYCES LIVIDANS ENDOGLUCANASE (EC: 3.2.1.4) COMPLEX WITH MODIFIED GLUCOSE TRIMER
分子名称: PROTEIN (ENDOGLUCANASE (E.C.3.2.1.4)), beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-beta-D-glucopyranose
著者Sulzenbacher, G, Dupont, C, Davies, G.J.
登録日1998-11-02
公開日1999-11-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The crystal structure of a 2-fluorocellotriosyl complex of the Streptomyces lividans endoglucanase CelB2 at 1.2 A resolution.
Biochemistry, 38, 1999
2NQP
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Crystal structure of pseudoudirinde synthase TruA in complex with leucyl tRNA
分子名称: POTASSIUM ION, tRNA pseudouridine synthase A, transfer RNA
著者Hur, S, Stroud, R.M.
登録日2006-10-31
公開日2007-05-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献How U38, 39, and 40 of Many tRNAs Become the Targets for Pseudouridylation by TruA.
Mol.Cell, 26, 2007
2NBT
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NEURONAL BUNGAROTOXIN, NMR, 10 STRUCTURES
分子名称: NEURONAL BUNGAROTOXIN
著者Oswald, R.E, Sutcliffe, M.J, Bamberger, M, Loring, R.H, Braswell, E, Dobson, C.M.
登録日1997-10-29
公開日1998-03-11
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Solution structure of neuronal bungarotoxin determined by two-dimensional NMR spectroscopy: calculation of tertiary structure using systematic homologous model building, dynamical simulated annealing, and restrained molecular dynamics.
Biochemistry, 31, 1992
2Q5E
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BU of 2q5e by Molmil
Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2
分子名称: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION
著者Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-05-31
公開日2007-06-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
2Q7T
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Crystal Structure of the F plasmid TraI Relaxase Domain with the Scissile Thymidine Base
分子名称: MAGNESIUM ION, Protein traI, THYMIDINE-5'-PHOSPHATE
著者Lujan, S.A, Redinbo, M.R.
登録日2007-06-07
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Disrupting antibiotic resistance propagation by inhibiting the conjugative DNA relaxase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OZO
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Autoinhibited intact human ZAP-70
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase ZAP-70
著者Deindl, S, Kadlecek, T.A, Brdicka, T, Cao, X, Weiss, A, Kuriyan, J.
登録日2007-02-26
公開日2007-05-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for the Inhibition of Tyrosine Kinase Activity of ZAP-70.
Cell(Cambridge,Mass.), 129, 2007

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