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1UCN
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BU of 1ucn by Molmil
X-ray structure of human nucleoside diphosphate kinase A complexed with ADP at 2 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Gallois-Montbrun, S, Schneider, B, Veron, M, Morera, S, Deville-Bonne, D, Janin, J.
Deposit date:2003-04-16
Release date:2003-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nucleotide Binding to Nucleoside Diphosphate Kinases: X-ray Structure of Human NDPK-A in Complex with ADP and Comparison to Protein Kinases
J.Mol.Biol., 332, 2003
2VNT
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BU of 2vnt by Molmil
UROKINASE-TYPE PLASMINOGEN ACTIVATOR INHIBITOR COMPLEX WITH A 1-(7- SULPHOAMIDOISOQUINOLINYL)GUANIDINE
Descriptor: 1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
Authors:Fish, P.V, Barber, C.G, Brown, D.G, Butt, R, Henry, B.T, Horne, V, Huggins, J.P, Mccleverty, D, Phillips, C, Webster, R, Dickinson, R.P, Collis, M.G, King, E, O'Gara, M, Mcintosh, F.
Deposit date:2008-02-07
Release date:2008-02-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selective Urokinase-Type Plasminogen Activator (Upa) Inhibitors 4. 1-(7-Sulphonamidoisoquinolinyl) Guanidines
J.Med.Chem., 50, 2007
5LVO
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BU of 5lvo by Molmil
Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket
Descriptor: 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
1UFU
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BU of 1ufu by Molmil
Crystal structure of ligand binding domain of immunoglobulin-like transcript 2 (ILT2; LIR-1)
Descriptor: Immunoglobulin-like transcript 2
Authors:Shiroishi, M, Amano, K, Rasubala, L, Tsumoto, K, Kumagai, I, Kohda, D, Maenaka, K.
Deposit date:2003-06-10
Release date:2004-08-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Kinetic and thermodynamic properties of the interaction between Immunoglobulin like transcript (ILT) and MHC class I
To be Published
2VRH
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BU of 2vrh by Molmil
Structure of the E. coli trigger factor bound to a translating ribosome
Descriptor: 50S RIBOSOMAL PROTEIN L23, 50S RIBOSOMAL PROTEIN L24, 50S RIBOSOMAL PROTEIN L29, ...
Authors:Merz, F, Boehringer, D, Schaffitzel, C, Preissler, S, Hoffmann, A, Maier, T, Rutkowska, A, Lozza, J, Ban, N, Bukau, B, Deuerling, E.
Deposit date:2008-04-07
Release date:2008-06-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (19 Å)
Cite:Molecular Mechanism and Structure of Trigger Factor Bound to the Translating Ribosome.
Embo J., 27, 2008
5M0I
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BU of 5m0i by Molmil
Crystal structure of the nuclear complex with She2p and the ASH1 mRNA E3-localization element
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ASH1-E3 element, ...
Authors:Edelmann, F.T, Janowski, R, Niessing, D.
Deposit date:2016-10-05
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Molecular architecture and dynamics of ASH1 mRNA recognition by its mRNA-transport complex.
Nat. Struct. Mol. Biol., 24, 2017
5M1B
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BU of 5m1b by Molmil
Crystal structure of C-terminally tagged apo-UbiD from E. coli
Descriptor: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase
Authors:White, M, Leys, D.
Deposit date:2016-10-07
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
1N2J
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BU of 1n2j by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with pantoate
Descriptor: BETA-ALANINE, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
1NB5
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BU of 1nb5 by Molmil
Crystal structure of stefin A in complex with cathepsin H
Descriptor: Cathepsin H, Cathepsin H MINI CHAIN, STEFIN A, ...
Authors:Jenko, S, Dolenc, I, Guncar, G, Dobersek, A, Podobnik, M, Turk, D.
Deposit date:2002-12-02
Release date:2003-02-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo- and exopeptidases
J.Mol.Biol., 326, 2003
1NC6
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BU of 1nc6 by Molmil
Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone
Descriptor: (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ...
Authors:Costanzo, M.J, Yabut, S.C, Almond Jr, H.R, Andrade-Gordon, P, Corcoran, T.W, de Garavilla, L, Kauffman, J.A, Abraham, W.M, Recacha, R, Chattopadhyay, D, Maryanoff, B.E.
Deposit date:2002-12-04
Release date:2003-09-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent, Small-Molecule Inhibitors of Human Mast Cell Tryptase. Antiasthmatic Action of a Dipeptide-Based Transition-State Analogue Containing a Benzothiazole Ketone.
J.Med.Chem., 46, 2003
1MU6
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BU of 1mu6 by Molmil
Crystal Structure of Thrombin in Complex with L-378,622
Descriptor: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
Authors:Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J.
Deposit date:2002-09-23
Release date:2004-04-06
Last modified:2021-07-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
5LG0
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BU of 5lg0 by Molmil
Solution NMR structure of Tryptophan to Alanine mutant of Arkadia RING domain.
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
Deposit date:2016-07-05
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
2X52
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BU of 2x52 by Molmil
CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 3 IN COMPLEX WITH A SYNTHETIC DIVALENT CARBOHYDRATE LIGAND
Descriptor: AGGLUTININ ISOLECTIN 3, BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-TRIOXA-1,13-TRIDECANEDIAMINE, GLYCEROL
Authors:Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W.
Deposit date:2010-02-05
Release date:2010-02-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
5LSD
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BU of 5lsd by Molmil
recombinant mouse Nerve Growth Factor
Descriptor: Beta-nerve growth factor
Authors:Paoletti, F, de Chiara, C, Kelly, G, Lamba, D, Cattaneo, A, Pastore, A.
Deposit date:2016-08-25
Release date:2017-07-05
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Conformational Rigidity within Plasticity Promotes Differential Target Recognition of Nerve Growth Factor.
Front Mol Biosci, 3, 2016
2XAE
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BU of 2xae by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((S)-2-methyl-1,1-diphenylbutylthio)propanoic acid
Descriptor: (2R)-2-AMINO-3-[(4-CHLOROPHENYL)-DIPHENYL-METHYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Tkocz, K, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F.
Deposit date:2010-03-31
Release date:2011-03-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
1TPU
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BU of 1tpu by Molmil
S96P CHANGE IS A SECOND-SITE SUPPRESSOR FOR H95N SLUGGISH MUTANT TRIOSEPHOSPHATE ISOMERASE
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Zhang, Z, Sugio, S, Komives, E.A, Liu, K.D, Stock, A.M, Narayana, N, Xuong, Ng.H, Knowles, J.R, Petsko, G.A, Ringe, D.
Deposit date:1994-11-07
Release date:1995-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structural basis for pseudoreversion of the H95N lesion by the secondary S96P mutation in triosephosphate isomerase.
Biochemistry, 35, 1996
1TPV
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BU of 1tpv by Molmil
S96P CHANGE IS A SECOND-SITE SUPPRESSOR FOR H95N SLUGGISH MUTANT TRIOSEPHOSPHATE ISOMERASE
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Zhang, Z, Sugio, S, Komives, E.A, Liu, K.D, Stock, A.M, Narayana, N, Xuong, Ng.H, Knowles, J.R, Petsko, G.A, Ringe, D.
Deposit date:1994-11-07
Release date:1995-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structural basis for pseudoreversion of the H95N lesion by the secondary S96P mutation in triosephosphate isomerase.
Biochemistry, 35, 1996
5MJG
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BU of 5mjg by Molmil
Single-shot pink beam serial crystallography: Thaumatin
Descriptor: S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
Deposit date:2016-12-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single-shot pink beam serial crystallography: Thaumatin
To Be Published
5MAD
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BU of 5mad by Molmil
GFP-binding DARPin 3G61
Descriptor: 3G61, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
5MK2
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BU of 5mk2 by Molmil
Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro1 domain (CHMP4B peptide complex structure)
Descriptor: Charged multivesicular body protein 4b, Tyrosine-protein phosphatase non-receptor type 23
Authors:Levy, C, Gahloth, D.
Deposit date:2016-12-02
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Specific Interaction of TGF beta Signaling Regulators SARA/Endofin with HD-PTP.
Structure, 25, 2017
5MBL
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BU of 5mbl by Molmil
Cathepsin B in complex with DARPin 81
Descriptor: Cathepsin B, DARPin 81, SULFATE ION
Authors:Turk, D, Kramer, L, Renko, M, Turk, B.
Deposit date:2016-11-08
Release date:2017-12-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Cathepsin B in complex with DARPin 81
To Be Published
1TPH
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BU of 1tph by Molmil
1.8 ANGSTROMS CRYSTAL STRUCTURE OF WILD TYPE CHICKEN TRIOSEPHOSPHATE ISOMERASE-PHOSPHOGLYCOLOHYDROXAMATE COMPLEX
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Zhang, Z, Sugio, S, Komives, E.A, Liu, K.D, Knowles, J.R, Petsko, G.A, Ringe, D.
Deposit date:1993-12-22
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of recombinant chicken triosephosphate isomerase-phosphoglycolohydroxamate complex at 1.8-A resolution.
Biochemistry, 33, 1994
1MOG
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BU of 1mog by Molmil
Crystal structure of H. salinarum dodecin
Descriptor: CHLORIDE ION, Dodecin, MAGNESIUM ION, ...
Authors:Bieger, B, Essen, L.-O, Oesterhelt, D.
Deposit date:2002-09-09
Release date:2003-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Halophilic Dodecin: A Novel, Dodecameric Flavin Binding Protein from Halobacterium salinarum
Structure, 11, 2003
5NJQ
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BU of 5njq by Molmil
Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 1s time-delay, phased with 4ET8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
Deposit date:2017-03-29
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
1MOP
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BU of 1mop by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis
Descriptor: ETHANOL, GLYCEROL, SULFATE ION, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-09-09
Release date:2003-03-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of a Pantothenate Synthetase from M. tuberculosis and its Complexes with Substrates and a Reaction Intermediate
Protein Sci., 12, 2003

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