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2AGG
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BU of 2agg by Molmil
succinyl-AAPK-trypsin acyl-enzyme at 1.28 A resolution
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
Authors:Radisky, E.S, Lee, J.M, Lu, C.J, Koshland Jr, D.E.
Deposit date:2005-07-26
Release date:2006-05-16
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Insights into the serine protease mechanism from atomic resolution structures of trypsin reaction intermediates
Proc.Natl.Acad.Sci.USA, 103, 2006
5P7O
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BU of 5p7o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 321
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1HVN
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BU of 1hvn by Molmil
ZINC-AND SEQUENCE-DEPENDENT BINDING TO NUCLEIC ACIDS BY THE N-TERMINAL ZINC FINGER DOMAIN OF THE HIV-1 NUCLEOCAPSID PROTEIN: NMR STRUCTURE OF THE COMPLEX WITH THE PSI-SITE ANALOG, D/ACGCC
Descriptor: DNA (5'-D(P*AP*CP*GP*CP*C)-3'), Hiv-1 Nucleocapsid Zinc Finger, ZINC ION
Authors:South, T.L, Summers, M.F.
Deposit date:1992-12-08
Release date:1994-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Zinc- and sequence-dependent binding to nucleic acids by the N-terminal zinc finger of the HIV-1 nucleocapsid protein: NMR structure of the complex with the Psi-site analog, dACGCC.
Protein Sci., 2, 1993
2QR8
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BU of 2qr8 by Molmil
2.0A X-ray structure of C-terminal kinase domain of p90 ribosomal S6 kinase 2 (RSK2)
Descriptor: Ribosomal protein S6 kinase alpha-3, SODIUM ION
Authors:Tereshko, V, Malakhova, M, Dong, Z.
Deposit date:2007-07-27
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for activation of the autoinhibitory C-terminal kinase domain of p90 RSK2.
Nat.Struct.Mol.Biol., 15, 2008
1WF5
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BU of 1wf5 by Molmil
Solution structure of the first Fn3 domain of Sidekick-2 protein
Descriptor: sidekick 2 protein
Authors:Qin, X, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-26
Release date:2005-06-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the first Fn3 domain of Sidekick-2 protein
To be published
5P82
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BU of 5p82 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 335
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1HWR
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BU of 1hwr by Molmil
MOLECULAR RECOGNITION OF CYCLIC UREA HIV PROTEASE INHIBITORS
Descriptor: HIV-1 PROTEASE, [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
Authors:Chang, C.-H.
Deposit date:1998-03-20
Release date:1999-03-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular recognition of cyclic urea HIV-1 protease inhibitors.
J.Biol.Chem., 273, 1998
1WG0
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BU of 1wg0 by Molmil
Structural comparison of Nas6p protein structures in two different crystal forms
Descriptor: Probable 26S proteasome regulatory subunit p28
Authors:Nakamura, Y, Umehara, T, Tanaka, A, Horikoshi, M, Yokoyama, S, Padmanabhan, B, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-27
Release date:2005-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural comparison of Nas6p protein structures in two different crystal forms
To be Published
5P8H
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BU of 5p8h by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 350
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
2AOC
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BU of 2aoc by Molmil
Crystal structure analysis of HIV-1 protease mutant I84V with a substrate analog P2-NC
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T.
Deposit date:2005-08-12
Release date:2006-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
5P8U
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BU of 5p8u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 363
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1WDY
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BU of 1wdy by Molmil
Crystal structure of ribonuclease
Descriptor: 2-5A-dependent ribonuclease, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE
Authors:Tanaka, N, Nakanishi, M, Kusakabe, Y, Goto, Y, Kitade, Y, Nakamura, K.T.
Deposit date:2004-05-19
Release date:2004-10-05
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for recognition of 2',5'-linked oligoadenylates by human ribonuclease L
Embo J., 23, 2004
1HMS
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BU of 1hms by Molmil
1.4 ANGSTROMS STRUCTURAL STUDIES ON HUMAN MUSCLE FATTY ACID BINDING PROTEIN: BINDING INTERACTIONS WITH THREE SATURATED AND UNSATURATED C18 FATTY ACIDS
Descriptor: MUSCLE FATTY ACID BINDING PROTEIN, OLEIC ACID
Authors:Young, A.C.M, Scapin, G, Kromminga, A, Patel, S.B, Veerkamp, J.H, Sacchettini, J.C.
Deposit date:1994-01-02
Release date:1995-05-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies on human muscle fatty acid binding protein at 1.4 A resolution: binding interactions with three C18 fatty acids.
Structure, 2, 1994
1WBT
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BU of 1wbt by Molmil
Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
Descriptor: 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
Deposit date:2004-11-05
Release date:2005-11-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1WBM
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BU of 1wbm by Molmil
HIV-1 protease in complex with symmetric inhibitor, BEA450
Descriptor: (2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE, POL PROTEIN (FRAGMENT)
Authors:Lindberg, J, Unge, T.
Deposit date:2004-11-02
Release date:2004-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV-1 Protease in Complex with Symmetric Inhibitor, Bea450
To be Published
1QTF
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BU of 1qtf by Molmil
CRYSTAL STRUCTURE OF EXFOLIATIVE TOXIN B
Descriptor: EXFOLIATIVE TOXIN B
Authors:Vath, G.M, Earhart, C.A, Monie, D.D, Schlievert, P.M, Ohlendorf, D.H.
Deposit date:1999-06-27
Release date:1999-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of exfoliative toxin B: a superantigen with enzymatic activity.
Biochemistry, 38, 1999
2ARR
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BU of 2arr by Molmil
Human plasminogen activator inhibitor-2.[loop (66-98) deletion mutant] complexed with peptide n-acetyl-teaaagmggvmtgr-oh
Descriptor: 14-mer from Plasminogen activator inhibitor-2, Plasminogen activator inhibitor-2
Authors:Di Giusto, D.A, Sutherland, A.P, Jankova, L, Harrop, S.J, Curmi, P.M, King, G.C.
Deposit date:2005-08-21
Release date:2006-07-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Plasminogen activator inhibitor-2 is highly tolerant to P8 residue substitution--implications for serpin mechanistic model and prediction of nsSNP activities
J.Mol.Biol., 353, 2005
1WEL
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BU of 1wel by Molmil
Solution structure of RNA binding domain in NP_006038
Descriptor: RNA-binding protein 12
Authors:Someya, T, Muto, Y, Nagata, T, Suzuki, S, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-25
Release date:2005-08-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RNA binding domain in NP_006038
To be Published
2AQT
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BU of 2aqt by Molmil
CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant
Descriptor: COPPER (I) ION, COPPER (II) ION, SULFATE ION, ...
Authors:DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D.
Deposit date:2005-08-18
Release date:2006-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant
To be Published
1HI4
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BU of 1hi4 by Molmil
Eosinophil-derived Neurotoxin (EDN) - Adenosien-3'-5'-Diphosphate Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, EOSINOPHIL-DERIVED NEUROTOXIN
Authors:Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R.
Deposit date:2001-01-02
Release date:2001-05-31
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors
J.Biol.Chem., 276, 2001
2AS9
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BU of 2as9 by Molmil
Functional and structural characterization of Spl proteases from staphylococcus aureus
Descriptor: ZINC ION, serine protease
Authors:Popowicz, G.M, Dubin, G, Stec-Niemczyk, J, Czarny, A, Dubin, A, Potempa, J, Holak, T.A.
Deposit date:2005-08-23
Release date:2005-09-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Functional and Structural Characterization of Spl Proteases from Staphylococcus aureus
J.Mol.Biol., 358, 2006
1HRF
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BU of 1hrf by Molmil
SOLUTION STRUCTURE OF THE EPIDERMAL GROWTH FACTOR-LIKE DOMAIN OF HEREGULIN-ALPHA, A LIGAND FOR P180ERB4
Descriptor: HEREGULIN ALPHA
Authors:Nagata, K, Kohda, D, Hatanaka, H, Ichikawa, S, Inagaki, F.
Deposit date:1994-07-21
Release date:1994-10-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of the epidermal growth factor-like domain of heregulin-alpha, a ligand for p180erbB-4.
EMBO J., 13, 1994
2ASO
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BU of 2aso by Molmil
Structure of Rabbit Actin In Complex With Sphinxolide B
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Allingham, J.S, Zampella, A, D'Auria, M.V, Rayment, I.
Deposit date:2005-08-23
Release date:2005-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of microfilament destabilizing toxins bound to actin provide insight into toxin design and activity
Proc.Natl.Acad.Sci.Usa, 102, 2005
1HJO
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BU of 1hjo by Molmil
ATPase domain of human heat shock 70kDa protein 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Osipiuk, J, Walsh, M.A, Freeman, B.C, Morimoto, R.I, Joachimiak, A.
Deposit date:1998-10-13
Release date:1998-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a new crystal form of human Hsp70 ATPase domain.
Acta Crystallogr.,Sect.D, 55, 1999
5OYS
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BU of 5oys by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 3
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

223532

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