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2PBN
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Crystal structure of the human tyrosine receptor phosphate gamma
Descriptor: Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
Authors: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)
Deposit date:2007-03-28
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
6GOZ
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BU of 6goz by Molmil
Structure of mEos4b in the green long-lived dark state
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:De Zitter, E, Adam, V, Byrdin, M, Van Meervelt, L, Dedecker, P, Bourgeois, D.
Deposit date:2018-06-04
Release date:2019-11-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.406 Å)
Cite: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
Descriptor: 3' substrate strand, octameric fragment, 5' substrate strand, ...
Authors:Torelli, A.T, Krucinska, J, Wedekind, J.E.
Deposit date:2007-03-20
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Cysteine protease, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
Authors:Brinen, L.S, Marion, R.
Deposit date:2007-03-20
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, ACETATE ION, CHLORIDE ION, ...
Authors:Driller, J.H, Gerth, F, Freund, C, Wahl, M.C, Loll, B.
Deposit date:2018-07-25
Release date:2019-02-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.689 Å)
Cite: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
Descriptor: IMIDO DIPHOSPHATE, MAGNESIUM ION, Protein traI, ...
Authors:Lujan, S.A, Redinbo, M.R.
Deposit date:2007-06-07
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-07-26
Release date:2018-08-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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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Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine
Descriptor: (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)
Authors: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.
Deposit date:2007-01-31
Release date:2007-04-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-21
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 2, SULFATE ION, TRIETHYLENE GLYCOL
Authors: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.
Deposit date:2013-05-15
Release date:2014-05-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Direct Interaction of Actin Filaments with F-Bar Protein Pacsin2.
Embo Rep., 15, 2014
2OZ2
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Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)
Descriptor: Cruzipain, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE, SULFATE ION
Authors:Rickert, M, Brinen, L.
Deposit date:2007-02-23
Release date:2008-02-26
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily V member 1
Authors:Jin, X, Gaudet, R.
Deposit date:2007-04-24
Release date:2007-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose, N-acetylglucosamine-6-phosphate deacetylase, ZINC ION
Authors:Fedorov, A.A, Fedorov, E.V, Hall, R.S, Raushel, F.M, Almo, S.C.
Deposit date:2007-03-14
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Epithelial-cadherin, Internalin-A
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: (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, ...
Authors:Scapin, G, Biftu, T.
Deposit date:2007-03-23
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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BU of 2omt by Molmil
Crystal structure of InlA G194S+S/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin; E-Cad/CTF1, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: RNA (70-MER)
Authors:Au, H.H, Cornilescu, G, Mouzakis, K.D, Burke, J.E, Ren, Q, Lee, S, Butcher, S.E, Jan, E.
Deposit date:2015-10-27
Release date:2015-11-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: Immunoglobulin G-binding protein G precursor
Authors:Blackledge, M, Bouvignies, G, Brueschweiler, R, Markwick, P.
Deposit date:2006-10-23
Release date:2006-11-21
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Simultaneous determination of protein backbone structure and dynamics from residual dipolar couplings
J.Am.Chem.Soc., 128, 2006
2NLR
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BU of 2nlr by Molmil
STREPTOMYCES LIVIDANS ENDOGLUCANASE (EC: 3.2.1.4) COMPLEX WITH MODIFIED GLUCOSE TRIMER
Descriptor: 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
Authors:Sulzenbacher, G, Dupont, C, Davies, G.J.
Deposit date:1998-11-02
Release date:1999-11-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: POTASSIUM ION, tRNA pseudouridine synthase A, transfer RNA
Authors:Hur, S, Stroud, R.M.
Deposit date:2006-10-31
Release date:2007-05-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: NEURONAL BUNGAROTOXIN
Authors:Oswald, R.E, Sutcliffe, M.J, Bamberger, M, Loring, R.H, Braswell, E, Dobson, C.M.
Deposit date:1997-10-29
Release date:1998-03-11
Last modified:2022-03-16
Method:SOLUTION NMR
Cite: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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Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2
Descriptor: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION
Authors: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)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite: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
Descriptor: MAGNESIUM ION, Protein traI, THYMIDINE-5'-PHOSPHATE
Authors:Lujan, S.A, Redinbo, M.R.
Deposit date:2007-06-07
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Disrupting antibiotic resistance propagation by inhibiting the conjugative DNA relaxase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OZO
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BU of 2ozo by Molmil
Autoinhibited intact human ZAP-70
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase ZAP-70
Authors:Deindl, S, Kadlecek, T.A, Brdicka, T, Cao, X, Weiss, A, Kuriyan, J.
Deposit date:2007-02-26
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for the Inhibition of Tyrosine Kinase Activity of ZAP-70.
Cell(Cambridge,Mass.), 129, 2007

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