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3SX3
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BU of 3sx3 by Molmil
Crystal structure of AABB+UDP+Gal with glycerol as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SX8
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BU of 3sx8 by Molmil
Crystal structure of ABBA+UDP+Gal with MPD as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
1PBH
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BU of 1pbh by Molmil
CRYSTAL STRUCTURE OF HUMAN RECOMBINANT PROCATHEPSIN B AT 3.2 ANGSTROM RESOLUTION
Descriptor: PROCATHEPSIN B
Authors:Podobnik, M, Turk, D.
Deposit date:1997-02-14
Release date:1998-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of human procathepsin B at 3.2 and 3.3 Angstroms resolution reveal an interaction motif between a papain-like cysteine protease and its propeptide.
FEBS Lett., 384, 1996
2JG9
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BU of 2jg9 by Molmil
Crystallographic structure of human C1q globular heads (P1)
Descriptor: CALCIUM ION, Complement C1q subcomponent subunit A, Complement C1q subcomponent subunit B, ...
Authors:Paidassi, H, Tacnet-Delorme, P, Garlatti, V, Darnault, C, Ghebrehiwet, B, Gaboriaud, C, Arlaud, G.J, Frachet, P.
Deposit date:2007-02-09
Release date:2008-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:C1Q Binds Phosphatidylserine and Likely Acts as a Multiligand-Bridging Molecule in Apoptotic Cell Recognition.
J.Immunol., 180, 2008
3ZZE
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BU of 3zze by Molmil
Crystal structure of C-MET kinase domain in complex with N'-((3Z)-4- chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-(4- hydroxyphenyl)propanohydrazide
Descriptor: (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Deng, Y, Ryan, K, Cui, J.J.
Deposit date:2011-08-31
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
3CCN
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BU of 3ccn by Molmil
X-ray structure of c-Met with triazolopyridazine inhibitor.
Descriptor: 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor
Authors:Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F.
Deposit date:2008-02-26
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
3SXD
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BU of 3sxd by Molmil
Crystal structure of BBBB+UDP+Gal with MPD as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
1A45
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BU of 1a45 by Molmil
GAMMAF CRYSTALLIN FROM BOVINE LENS
Descriptor: GAMMAF CRYSTALLIN
Authors:Norledge, B.V, Hay, R, Bateman, O.A, Slingsby, C, White, H.E, Moss, D.S, Lindley, P.F, Driessen, H.P.C.
Deposit date:1998-02-10
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Towards a molecular understanding of phase separation in the lens: a comparison of the X-ray structures of two high Tc gamma-crystallins, gammaE and gammaF, with two low Tc gamma-crystallins, gammaB and gammaD.
Exp.Eye Res., 65, 1997
1TEC
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BU of 1tec by Molmil
CRYSTALLOGRAPHIC REFINEMENT BY INCORPORATION OF MOLECULAR DYNAMICS. THE THERMOSTABLE SERINE PROTEASE THERMITASE COMPLEXED WITH EGLIN-C
Descriptor: CALCIUM ION, EGLIN C, SODIUM ION, ...
Authors:Gros, P, Dijkstra, B.W, Hol, W.G.J.
Deposit date:1989-05-24
Release date:1989-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic refinement by incorporation of molecular dynamics: thermostable serine protease thermitase complexed with eglin c.
Acta Crystallogr.,Sect.B, 45, 1989
3ZUW
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BU of 3zuw by Molmil
Photosynthetic Reaction Centre Mutant with TYR L128 replaced with HIS
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Gibasiewicz, K, Pajzderska, M, Potter, J.A, Fyfe, P.K, Dobek, A, Brettel, K, Jones, M.R.
Deposit date:2011-07-20
Release date:2011-11-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-).
J Phys Chem B, 115, 2011
2KJ1
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BU of 2kj1 by Molmil
cytoplasmic domain structure of BM2 proton channel from influenza B virus
Descriptor: BM2 protein
Authors:Wang, J, Pielak, R, McClintock, M, Chou, J.
Deposit date:2009-05-13
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and functional analysis of the influenza B proton channel.
Nat.Struct.Mol.Biol., 16, 2009
1NTM
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BU of 1ntm by Molmil
Crystal Structure of Mitochondrial Cytochrome bc1 Complex at 2.4 Angstrom
Descriptor: Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C, Xia, D.
Deposit date:2003-01-30
Release date:2003-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site
Biochemistry, 42, 2003
3ZEP
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BU of 3zep by Molmil
Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor
Descriptor: 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK3
Authors:Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M.
Deposit date:2012-12-06
Release date:2013-12-11
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of a Series of Novel 5H-Pyrrolo[2,3-B]Pyrazine-2-Phenyl Ethers, as Potent Jak3 Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
1ZLI
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BU of 1zli by Molmil
Crystal structure of the tick carboxypeptidase inhibitor in complex with human carboxypeptidase B
Descriptor: Carboxypeptidase B, ZINC ION, carboxypeptidase inhibitor
Authors:Arolas, J.L, Popowicz, G.M, Lorenzo, J, Sommerhoff, C.P, Huber, R, Aviles, F.X, Holak, T.A.
Deposit date:2005-05-06
Release date:2005-07-05
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Three-Dimensional Structures of Tick Carboxypeptidase Inhibitor in Complex with A/B Carboxypeptidases Reveal a Novel Double-headed Binding Mode
J.Mol.Biol., 350, 2005
3TBE
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BU of 3tbe by Molmil
The crystal structure of the complex of Streptococcus agalactiae sortase C1 and MTSET
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Khare, B.
Deposit date:2011-08-05
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The Crystal Structure Analysis of Group B Streptococcus Sortase C1: A Model for the "Lid" Movement upon Substrate Binding.
J.Mol.Biol., 414, 2011
2OEY
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BU of 2oey by Molmil
Solution Structure of a Designed Spirocyclic Helical Ligand Binding at a Two-Base Bulge Site in DNA
Descriptor: (1R,3A'S,10'S,10A'R)-7-METHOXY-2-OXO-10',10A'-DIHYDRO-2H,3A'H-SPIRO[NAPHTHALENE-1,3'-PENTALENO[1,2-B]NAPHTHALEN]-10'-YL 2,6-DIDEOXY-2-(METHYLAMINO)-ALPHA-D-GALACTOPYRANOSIDE, DNA (25-MER)
Authors:Zhang, N, Lin, Y, Xiao, Z, Jones, G.B, Goldberg, I.H.
Deposit date:2007-01-01
Release date:2007-04-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution Structure of a Designed Spirocyclic Helical Ligand Binding at a Two-Base Bulge Site in DNA.
Biochemistry, 46, 2007
4RVK
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BU of 4rvk by Molmil
CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
Descriptor: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1
Authors:Wiesmann, C, Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
1CQS
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BU of 1cqs by Molmil
CRYSTAL STRUCTURE OF D103E MUTANT WITH EQUILENINEOF KSI IN PSEUDOMONAS PUTIDA
Descriptor: EQUILENIN, PROTEIN : KETOSTEROID ISOMERASE
Authors:Choi, G, Ha, N.C, Kim, S.W, Kim, D.H, Park, S, Oh, B.H, Choi, K.Y.
Deposit date:1999-08-11
Release date:2003-06-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Asp-99 donates a hydrogen bond not to Tyr-14 but to the steroid directly in the catalytic mechanism of Delta 5-3-ketosteroid isomerase from Pseudomonas putida biotype B
Biochemistry, 39, 2000
2OH0
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BU of 2oh0 by Molmil
Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors
Descriptor: (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE, Inhibitory peptide, cAMP-dependent protein kinase, ...
Authors:Stoll, V.S.
Deposit date:2007-01-09
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
1PBA
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BU of 1pba by Molmil
THE NMR STRUCTURE OF THE ACTIVATION DOMAIN ISOLATED FROM PORCINE PROCARBOXYPEPTIDASE B
Descriptor: PROCARBOXYPEPTIDASE B
Authors:Vendrell, J, Wider, G, Billeter, M, Aviles, F.X, Wuthrich, K.
Deposit date:1991-11-18
Release date:1993-10-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The NMR structure of the activation domain isolated from porcine procarboxypeptidase B.
EMBO J., 10, 1991
1APF
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BU of 1apf by Molmil
ANTHOPLEURIN-B, NMR, 20 STRUCTURES
Descriptor: ANTHOPLEURIN-B
Authors:Monks, S.A, Pallaghy, P.K, Scanlon, M.J, Norton, R.S.
Deposit date:1995-05-30
Release date:1996-07-11
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of the cardiostimulant polypeptide anthopleurin-B and comparison with anthopleurin-A.
Structure, 3, 1995
3SXA
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BU of 3sxa by Molmil
Crystal structure of ABBB+UDP+Gal with Glycerol as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
2OJF
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BU of 2ojf by Molmil
Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine based inhibitors
Descriptor: (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, Inhibitory peptide, cAMP-dependent protein kinase, ...
Authors:Stoll, V.S.
Deposit date:2007-01-12
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
2QMT
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BU of 2qmt by Molmil
Crystal Polymorphism of Protein GB1 Examined by Solid-state NMR and X-ray Diffraction
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ISOPROPYL ALCOHOL, Immunoglobulin G-binding protein G, ...
Authors:Frericks Schmidt, H.L, Sperling, L.J, Gao, Y.G, Wylie, B.J, Boettcher, J.M, Wilson, S.R, Rienstra, C.M.
Deposit date:2007-07-16
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal Polymorphism of Protein GB1 Examined by Solid-State NMR Spectroscopy and X-ray Diffraction.
J.Phys.Chem.B, 111, 2007
1NU1
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BU of 1nu1 by Molmil
Crystal Structure of Mitochondrial Cytochrome bc1 Complexed with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO)
Descriptor: 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE, Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C.-A, Xia, D.
Deposit date:2003-01-30
Release date:2003-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site
Biochemistry, 42, 2003

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