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1IQL
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BU of 1iql by Molmil
Human coagulation factor Xa in complex with M54476
Descriptor: 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1UQ5
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BU of 1uq5 by Molmil
RICIN A-CHAIN (RECOMBINANT) N122A MUTANT
Descriptor: ACETATE ION, RICIN, SULFATE ION
Authors:Marsden, C.J, Fulop, V.
Deposit date:2003-10-15
Release date:2004-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Effect of Mutations Surrounding and within the Active Site on the Catalytic Activity of Ricin a Chain
Eur.J.Biochem., 271, 2004
1MNM
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BU of 1mnm by Molmil
YEAST MATALPHA2/MCM1/DNA TERNARY TRANSCRIPTION COMPLEX CRYSTAL STRUCTURE
Descriptor: DNA (STE6 OPERATOR DNA), PROTEIN (MAT ALPHA-2 TRANSCRIPTIONAL REPRESSOR), PROTEIN (MCM1 TRANSCRIPTIONAL REGULATOR)
Authors:Tan, S, Richmond, T.J.
Deposit date:1997-11-03
Release date:1998-03-18
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the yeast MATalpha2/MCM1/DNA ternary complex.
Nature, 391, 1998
1UQ4
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BU of 1uq4 by Molmil
RICIN A-CHAIN (RECOMBINANT) R213D MUTANT
Descriptor: RICIN, SULFATE ION
Authors:Marsden, C.J, Fulop, V.
Deposit date:2003-10-15
Release date:2004-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Effect of Mutations Surrounding and within the Active Site on the Catalytic Activity of Ricin a Chain
Eur.J.Biochem., 271, 2004
1IQG
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BU of 1iqg by Molmil
Human coagulation factor Xa in complex with M55159
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQN
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BU of 1iqn by Molmil
Human coagulation factor Xa in complex with M55192
Descriptor: 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1MNH
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BU of 1mnh by Molmil
INTERACTIONS AMONG RESIDUES CD3, E7, E10 AND E11 IN MYOGLOBINS: ATTEMPTS TO SIMULATE THE O2 AND CO BINDING PROPERTIES OF APLYSIA MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Davies, G.J, Wilkinson, A.J.
Deposit date:1995-01-11
Release date:1995-05-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Interactions among residues CD3, E7, E10, and E11 in myoglobins: attempts to simulate the ligand-binding properties of Aplysia myoglobin.
Biochemistry, 34, 1995
1IQI
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BU of 1iqi by Molmil
Human coagulation factor Xa in complex with M55125
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1MNI
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BU of 1mni by Molmil
ALTERATION OF AXIAL COORDINATION BY PROTEIN ENGINEERING IN MYOGLOBIN. BIS-IMIDAZOLE LIGATION IN THE HIS64-->VAL(SLASH)VAL68-->HIS DOUBLE MUTANT
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Krzywda, S, Wilkinson, A.J.
Deposit date:1995-01-11
Release date:1995-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Alteration of axial coordination by protein engineering in myoglobin. Bisimidazole ligation in the His64-->Val/Val68-->His double mutant.
J.Biol.Chem., 270, 1995
1T2M
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BU of 1t2m by Molmil
Solution Structure Of The Pdz Domain Of AF-6
Descriptor: AF-6 protein
Authors:Zhou, H, Wu, J.H, Xu, Y.Q, Huang, A.D, Shi, Y.Y.
Deposit date:2004-04-22
Release date:2005-02-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of AF-6 PDZ Domain and Its Interaction with the C-terminal Peptides from Neurexin and Bcr
J.Biol.Chem., 280, 2005
1MNK
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BU of 1mnk by Molmil
INTERACTIONS AMONG RESIDUES CD3, E7, E10 AND E11 IN MYOGLOBINS: ATTEMPTS TO SIMULATE THE O2 AND CO BINDING PROPERTIES OF APLYSIA MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Krzywda, S, Wilkinson, A.J.
Deposit date:1995-01-11
Release date:1995-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interactions among residues CD3, E7, E10, and E11 in myoglobins: attempts to simulate the ligand-binding properties of Aplysia myoglobin.
Biochemistry, 34, 1995
1MNJ
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BU of 1mnj by Molmil
INTERACTIONS AMONG RESIDUES CD3, E7, E10 AND E11 IN MYOGLOBINS: ATTEMPTS TO SIMULATE THE O2 AND CO BINDING PROPERTIES OF APLYSIA MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Krzywda, S, Wilkinson, A.J.
Deposit date:1995-01-11
Release date:1995-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interactions among residues CD3, E7, E10, and E11 in myoglobins: attempts to simulate the ligand-binding properties of Aplysia myoglobin.
Biochemistry, 34, 1995
6M9B
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BU of 6m9b by Molmil
Wild-type streptavidin in complex with biotin solved by native SAD with data collected at 6 keV
Descriptor: BIOTIN, Streptavidin
Authors:Finke, A.D.
Deposit date:2018-08-23
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:Making routine native SAD a reality: lessons from beamline X06DA at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 75, 2019
7QDQ
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BU of 7qdq by Molmil
Crystal Structure of HDM2 in complex with Caylin-1
Descriptor: CHLORIDE ION, Caylin-1, DIMETHYL SULFOXIDE, ...
Authors:Finke, A.D, Walti, M.A, Marsh, M.E, Orts, J.
Deposit date:2021-11-29
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation
J Magn Reson Open, 10-11, 2022
3EBX
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BU of 3ebx by Molmil
REFINEMENT AT 1.4 ANGSTROMS RESOLUTION OF A MODEL OF ERABUTOXIN B. TREATMENT OF ORDERED SOLVENT AND DISCRETE DISORDER
Descriptor: ERABUTOXIN B, SULFATE ION
Authors:Smith, J.L, Corfield, P.W.R, Hendrickson, W.A, Low, B.W.
Deposit date:1988-01-15
Release date:1988-04-16
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Refinement at 1.4 A resolution of a model of erabutoxin b: treatment of ordered solvent and discrete disorder.
Acta Crystallogr.,Sect.A, 44, 1988
3ER3
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BU of 3er3 by Molmil
The active site of aspartic proteinases
Descriptor: 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN
Authors:Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
3G4O
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BU of 3g4o by Molmil
Crystal structure of the activated aerolysin mutant H132N
Descriptor: Aerolysin
Authors:Pernot, L, Schiltz, M, van der Goot, G.
Deposit date:2009-02-04
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011
3G4N
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BU of 3g4n by Molmil
Crystal structure of the activated aerolysin mutant H132D
Descriptor: Aerolysin
Authors:Pernot, L, Schiltz, M, van der Goot, G.
Deposit date:2009-02-04
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011
3ER5
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BU of 3er5 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN, H-189
Authors:Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
6ADH
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BU of 6adh by Molmil
STRUCTURE OF TRICLINIC TERNARY COMPLEX OF HORSE LIVER ALCOHOL DEHYDROGENASE AT 2.9 ANGSTROMS RESOLUTION
Descriptor: DIMETHYL SULFOXIDE, HOLO-LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Eklund, H.
Deposit date:1984-01-16
Release date:1984-07-18
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9 A resolution.
J.Mol.Biol., 146, 1981
7KS9
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BU of 7ks9 by Molmil
Cryo-EM structure of prefusion SARS-CoV-2 spike glycoprotein in complex with 910-30 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 910-30 Fab heavy chain, ...
Authors:Cerutti, G, Shapiro, L.
Deposit date:2020-11-21
Release date:2021-02-10
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite:Paired heavy- and light-chain signatures contribute to potent SARS-CoV-2 neutralization in public antibody responses.
Cell Rep, 37, 2021
7JVE
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BU of 7jve by Molmil
Crystal structure of Salmonella enterica Typhimurium BcfH
Descriptor: 1,2-ETHANEDIOL, DsbA family protein, MAGNESIUM ION, ...
Authors:Subedi, P, Heras, B, Hor, L, Paxman, J.J.
Deposit date:2020-08-21
Release date:2021-04-21
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Salmonella enterica BcfH Is a Trimeric Thioredoxin-Like Bifunctional Enzyme with Both Thiol Oxidase and Disulfide Isomerase Activities.
Antioxid.Redox Signal., 35, 2021
7JT6
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BU of 7jt6 by Molmil
Mycobacterium tuberculosis dethiobiotin synthetase in complex with Tetrazole 2
Descriptor: ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ...
Authors:Pederick, J.P, Bean, J.H, Bruning, J.B.
Deposit date:2020-08-17
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents.
Acs Chem.Biol., 16, 2021
7JT5
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BU of 7jt5 by Molmil
Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 9
Descriptor: ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ...
Authors:Pederick, J.P, Bruning, J.B.
Deposit date:2020-08-17
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents.
Acs Chem.Biol., 16, 2021
7JUA
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BU of 7jua by Molmil
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase at 2.35 A resolution
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
Authors:Xia, Y, Soule, J, Dowling, D.P.
Deposit date:2020-08-19
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 2022

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